smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNCc1sc(CSCCC)nc1C(C)(C)C ZINC000082439772 185182848 /nfs/dbraw/zinc/18/28/48/185182848.db2.gz MJENGRRFFXEGDG-UHFFFAOYSA-N 0 3 300.537 4.583 10 0 DJAEHN CC(C)NCc1sc(CSC(C)C)nc1C(C)(C)C ZINC000082439725 185182934 /nfs/dbraw/zinc/18/29/34/185182934.db2.gz IJELUNXUKRURDK-UHFFFAOYSA-N 0 3 300.537 4.580 10 0 DJAEHN N[C@@H](c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000019508849 182126602 /nfs/dbraw/zinc/12/66/02/182126602.db2.gz RXEHNRHAGDIBJX-KRWDZBQOSA-N 0 3 312.210 4.650 10 0 DJAEHN CC(C)(C)c1cccc(O[C@@H](CN)c2ccc(Cl)cc2)c1 ZINC000019671035 182135457 /nfs/dbraw/zinc/13/54/57/182135457.db2.gz NEYPVLNICSAFLU-KRWDZBQOSA-N 0 3 303.833 4.716 10 0 DJAEHN CC(C)(C)c1cccc(O[C@H](CN)c2ccc(Cl)cc2)c1 ZINC000019671037 182134903 /nfs/dbraw/zinc/13/49/03/182134903.db2.gz NEYPVLNICSAFLU-QGZVFWFLSA-N 0 3 303.833 4.716 10 0 DJAEHN CC[C@H](NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000019943879 182168603 /nfs/dbraw/zinc/16/86/03/182168603.db2.gz NVLVICHWFSUMRJ-INIZCTEOSA-N 0 3 322.221 4.829 10 0 DJAEHN Cc1cc(C)c([C@@H](N)c2cc(Br)ccc2F)c(C)c1 ZINC000019968708 182171677 /nfs/dbraw/zinc/17/16/77/182171677.db2.gz KVYLTRYZVNXHIB-INIZCTEOSA-N 0 3 322.221 4.562 10 0 DJAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)CC(C)(C)C ZINC000019967886 182171741 /nfs/dbraw/zinc/17/17/41/182171741.db2.gz SRPFTKHKKAPUJH-NSHDSACASA-N 0 3 320.658 4.547 10 0 DJAEHN C[C@@H](N)c1c(F)cccc1Oc1ccc(Cl)cc1Cl ZINC000020009392 182176691 /nfs/dbraw/zinc/17/66/91/182176691.db2.gz WYSVLRGYOFHRAG-MRVPVSSYSA-N 0 3 300.160 4.945 10 0 DJAEHN CCC[C@@H](C)[C@@H](N)c1cc(Cl)cc(Br)c1OC ZINC000020252193 182200341 /nfs/dbraw/zinc/20/03/41/182200341.db2.gz IBWUEEPOVJDNAN-PRHODGIISA-N 0 3 320.658 4.547 10 0 DJAEHN CC[C@@H](NCc1cccc(F)c1)c1ccc(Br)cc1 ZINC000020305581 182204963 /nfs/dbraw/zinc/20/49/63/182204963.db2.gz WZQXYTMJDCTZRK-MRXNPFEDSA-N 0 3 322.221 4.829 10 0 DJAEHN COc1ccc([C@H](N)c2c(Cl)cccc2Cl)cc1Cl ZINC000020521949 182226658 /nfs/dbraw/zinc/22/66/58/182226658.db2.gz XPRRFWKIUHTTAU-AWEZNQCLSA-N 0 3 316.615 4.704 10 0 DJAEHN COc1c(Cl)cc(CN[C@H](C)c2ccccc2)cc1Cl ZINC000020928284 182254498 /nfs/dbraw/zinc/25/44/98/182254498.db2.gz NTWJJYFYMOWMPJ-LLVKDONJSA-N 0 3 310.224 4.853 10 0 DJAEHN CCCOc1c(Cl)cc(Cl)cc1CNC1CCCC1 ZINC000020930065 182254515 /nfs/dbraw/zinc/25/45/15/182254515.db2.gz NMJNRWICCQEUSY-UHFFFAOYSA-N 0 3 302.245 4.814 10 0 DJAEHN CC(C)Cc1ccc([C@H](N)c2cccc(Br)c2)cc1 ZINC000021810608 182292207 /nfs/dbraw/zinc/29/22/07/182292207.db2.gz BFOPUBDJNZOPNG-KRWDZBQOSA-N 0 3 318.258 4.696 10 0 DJAEHN CCC[C@@H](N)c1ccc(-c2cccc(Br)c2)s1 ZINC000036927854 182853161 /nfs/dbraw/zinc/85/31/61/182853161.db2.gz VJVQMFRCKXWWEJ-GFCCVEGCSA-N 0 3 310.260 4.978 10 0 DJAEHN CCOc1ccc(-c2cncc(CN3CCCC[C@@H]3C)c2)cc1 ZINC000037554220 182906701 /nfs/dbraw/zinc/90/67/01/182906701.db2.gz ABGVOULXCPSINF-INIZCTEOSA-N 0 3 310.441 4.522 10 0 DJAEHN CC(C)NCc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000041010121 183156006 /nfs/dbraw/zinc/15/60/06/183156006.db2.gz XEZCBOKGUDEGGX-UHFFFAOYSA-N 0 3 301.242 4.615 10 0 DJAEHN NC[C@H](Oc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000043017208 183328513 /nfs/dbraw/zinc/32/85/13/183328513.db2.gz DWLIWEJDEYIQBE-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN CCc1ccc(C[C@@H](NC)c2ccccc2Br)s1 ZINC000060700048 184154424 /nfs/dbraw/zinc/15/44/24/184154424.db2.gz WVVNJQBOYCMHOX-OAHLLOKOSA-N 0 3 324.287 4.576 10 0 DJAEHN CCCOc1cccc([C@H](N)c2cc(Cl)sc2Cl)c1 ZINC000061667584 184181903 /nfs/dbraw/zinc/18/19/03/184181903.db2.gz NJJPTBNYZLBROJ-ZDUSSCGKSA-N 0 3 316.253 4.892 10 0 DJAEHN CC[C@H](NCCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000063099395 184270545 /nfs/dbraw/zinc/27/05/45/184270545.db2.gz GPRMXAGMTRCYLB-NSHDSACASA-N 0 3 300.151 4.987 10 0 DJAEHN C[C@@H](NC1CCSCC1)c1c(Cl)ccc(F)c1Cl ZINC000132137550 332103645 /nfs/dbraw/zinc/10/36/45/332103645.db2.gz ITNPUFNSDOVPOJ-MRVPVSSYSA-N 0 3 308.249 4.679 10 0 DJAEHN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(Cl)s1)CC2 ZINC000092835900 332694822 /nfs/dbraw/zinc/69/48/22/332694822.db2.gz CEQFJOIRXMKWSL-QMTHXVAHSA-N 0 3 307.846 4.748 10 0 DJAEHN C[C@H](COCc1ccccc1)N[C@@H](C)c1csc(Cl)c1 ZINC000390560373 333300811 /nfs/dbraw/zinc/30/08/11/333300811.db2.gz LJORNTWMNYFEET-OLZOCXBDSA-N 0 3 309.862 4.657 10 0 DJAEHN C[C@@H](N[C@@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226625 333341682 /nfs/dbraw/zinc/34/16/82/333341682.db2.gz BEJGSIHNPIZXDV-QMTHXVAHSA-N 0 3 322.271 4.849 10 0 DJAEHN CC[C@H](N[C@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529135 334345341 /nfs/dbraw/zinc/34/53/41/334345341.db2.gz ULXARDMMIACQRO-IRXDYDNUSA-N 0 3 301.455 4.875 10 0 DJAEHN CCCOc1ccc([C@H](C)N[C@@H]2CCOc3ccccc32)cc1 ZINC000192794813 336262035 /nfs/dbraw/zinc/26/20/35/336262035.db2.gz SKXHMLAIWPFXPU-HNAYVOBHSA-N 0 3 311.425 4.650 10 0 DJAEHN Cc1cccc2c(N3CCC(OCC4CCCC4)CC3)ccnc12 ZINC000301678968 336322964 /nfs/dbraw/zinc/32/29/64/336322964.db2.gz RDAAUCMANJMXNX-UHFFFAOYSA-N 0 3 324.468 4.719 10 0 DJAEHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900387 337079944 /nfs/dbraw/zinc/07/99/44/337079944.db2.gz IEKPWANAGOYVJL-CVEARBPZSA-N 0 3 313.441 4.732 10 0 DJAEHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900351 337079994 /nfs/dbraw/zinc/07/99/94/337079994.db2.gz IEKPWANAGOYVJL-HOTGVXAUSA-N 0 3 313.441 4.732 10 0 DJAEHN Brc1cc(CN[C@@H]2CCCc3ccccc32)cs1 ZINC000035251123 337394020 /nfs/dbraw/zinc/39/40/20/337394020.db2.gz OCMFMDNPUOKDHA-CQSZACIVSA-N 0 3 322.271 4.678 10 0 DJAEHN Brc1cc(CN[C@H]2CCCc3ccccc32)cs1 ZINC000035251120 337394023 /nfs/dbraw/zinc/39/40/23/337394023.db2.gz OCMFMDNPUOKDHA-AWEZNQCLSA-N 0 3 322.271 4.678 10 0 DJAEHN CCc1ccc([C@@H](C)NCc2csc(Br)c2)cc1 ZINC000035255975 337742220 /nfs/dbraw/zinc/74/22/20/337742220.db2.gz ZEHFTISMYDZBJS-LLVKDONJSA-N 0 3 324.287 4.924 10 0 DJAEHN C[C@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441993 339238854 /nfs/dbraw/zinc/23/88/54/339238854.db2.gz JTNOTFUBEBSSQB-RNJOBUHISA-N 0 3 316.272 4.848 10 0 DJAEHN C[C@@H](NCC1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441992 339238904 /nfs/dbraw/zinc/23/89/04/339238904.db2.gz JTNOTFUBEBSSQB-IJLUTSLNSA-N 0 3 316.272 4.848 10 0 DJAEHN CCc1nc2c(s1)[C@H](N[C@@H](C)c1ccc(C)c(F)c1)CCC2 ZINC000168513699 341743194 /nfs/dbraw/zinc/74/31/94/341743194.db2.gz IKEZZHIDLBPMGY-SWLSCSKDSA-N 0 3 318.461 4.881 10 0 DJAEHN CC(=O)c1c(C)cc(C)c(CN[C@H](C)c2cccs2)c1C ZINC000181153499 518235437 /nfs/dbraw/zinc/23/54/37/518235437.db2.gz YAMGTOLUZTUKSI-CQSZACIVSA-N 0 3 301.455 4.727 10 0 DJAEHN CC(C)NCc1ccccc1OCc1c(F)cccc1Cl ZINC000032209201 563769143 /nfs/dbraw/zinc/76/91/43/563769143.db2.gz KYXBWOAMDVJQRA-UHFFFAOYSA-N 0 3 307.796 4.556 10 0 DJAEHN Cc1ccc(SCc2nc(C(C)(C)C)c(CN)s2)cc1 ZINC000082439581 185182941 /nfs/dbraw/zinc/18/29/41/185182941.db2.gz WECVDCXBNDHLDP-UHFFFAOYSA-N 0 3 306.500 4.500 10 0 DJAEHN CC[C@H](NCc1ccc(C)cc1)c1ccc(Br)cc1 ZINC000019962583 182171003 /nfs/dbraw/zinc/17/10/03/182171003.db2.gz YZNYWXAJTVBHEK-KRWDZBQOSA-N 0 3 318.258 4.998 10 0 DJAEHN Cc1cccc(CN[C@H](C)c2cccc(Br)c2)c1 ZINC000020133975 182190767 /nfs/dbraw/zinc/19/07/67/182190767.db2.gz ZNZFLYCMRUENAV-CYBMUJFWSA-N 0 3 304.231 4.608 10 0 DJAEHN NCc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000020184382 182194932 /nfs/dbraw/zinc/19/49/32/182194932.db2.gz FFZABBSOTJQXCC-UHFFFAOYSA-N 0 3 300.814 4.589 10 0 DJAEHN C[C@@H](N)c1cc(F)ccc1Oc1ccc(Cl)cc1Cl ZINC000020565039 182233319 /nfs/dbraw/zinc/23/33/19/182233319.db2.gz RXOHPVXPGNSGBU-MRVPVSSYSA-N 0 3 300.160 4.945 10 0 DJAEHN COc1ccc([C@@H](N)c2c(Cl)cccc2Cl)cc1Cl ZINC000020521948 182226393 /nfs/dbraw/zinc/22/63/93/182226393.db2.gz XPRRFWKIUHTTAU-CQSZACIVSA-N 0 3 316.615 4.704 10 0 DJAEHN N[C@H](c1csc2ccccc21)c1ccccc1Br ZINC000020596385 182236292 /nfs/dbraw/zinc/23/62/92/182236292.db2.gz IDVBMMJUZYZJOL-HNNXBMFYSA-N 0 3 318.239 4.712 10 0 DJAEHN CCCc1ccc([C@H](N)c2ccc(F)cc2Br)cc1 ZINC000021520816 182278341 /nfs/dbraw/zinc/27/83/41/182278341.db2.gz NCLQWOLQQJZYTG-INIZCTEOSA-N 0 3 322.221 4.589 10 0 DJAEHN Clc1cccc(COc2ccc(Cl)cc2CNC2CC2)c1 ZINC000040743534 183127852 /nfs/dbraw/zinc/12/78/52/183127852.db2.gz UYGGNAWDQFGYPA-UHFFFAOYSA-N 0 3 322.235 4.824 10 0 DJAEHN CCCNCc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000041010072 183155885 /nfs/dbraw/zinc/15/58/85/183155885.db2.gz DDKHUSIXSOPEPP-UHFFFAOYSA-N 0 3 301.242 4.617 10 0 DJAEHN NC[C@@H](Oc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000043017206 183328385 /nfs/dbraw/zinc/32/83/85/183328385.db2.gz DWLIWEJDEYIQBE-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@H](Oc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000043017548 183328762 /nfs/dbraw/zinc/32/87/62/183328762.db2.gz IDDYBXLHTIGQKP-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000043109143 183338307 /nfs/dbraw/zinc/33/83/07/183338307.db2.gz OZRDNTTYSPWMBP-LLVKDONJSA-N 0 3 322.644 4.787 10 0 DJAEHN CCN[C@H](c1ccc(Br)cc1)c1ccc(F)c(C)c1 ZINC000055222809 183972223 /nfs/dbraw/zinc/97/22/23/183972223.db2.gz PAEBSMJRZOODGI-MRXNPFEDSA-N 0 3 322.221 4.596 10 0 DJAEHN N[C@@H](Cc1c(Cl)cccc1Cl)c1ccc(F)cc1F ZINC000055239068 183972803 /nfs/dbraw/zinc/97/28/03/183972803.db2.gz YBTZXTVCGIXICL-AWEZNQCLSA-N 0 3 302.151 4.514 10 0 DJAEHN CCCn1ccc(CN[C@@H](C)c2ccc(Br)cc2)c1 ZINC000091012885 332058677 /nfs/dbraw/zinc/05/86/77/332058677.db2.gz KTOPNEJGVGQFQG-ZDUSSCGKSA-N 0 3 321.262 4.511 10 0 DJAEHN C[C@@H](N[C@@H](C)COCc1ccccc1)c1ccc(Cl)s1 ZINC000390544733 333296457 /nfs/dbraw/zinc/29/64/57/333296457.db2.gz TXSGNMRRFRQQGV-QWHCGFSZSA-N 0 3 309.862 4.657 10 0 DJAEHN Cc1ccc(C)c(CN[C@H](C)c2cccc(Br)c2)c1 ZINC000042361200 336239776 /nfs/dbraw/zinc/23/97/76/336239776.db2.gz VBWXDLCCWFVPNF-CQSZACIVSA-N 0 3 318.258 4.917 10 0 DJAEHN CCCOc1ccc([C@@H](C)N[C@H]2CCOc3ccccc32)cc1 ZINC000192794823 336262038 /nfs/dbraw/zinc/26/20/38/336262038.db2.gz SKXHMLAIWPFXPU-BEFAXECRSA-N 0 3 311.425 4.650 10 0 DJAEHN CC(C)COc1ccc([C@@H](C)N[C@@H](C)c2cccc(O)c2)cc1 ZINC000192845198 336267292 /nfs/dbraw/zinc/26/72/92/336267292.db2.gz IWAQBKIJJNAWSN-CVEARBPZSA-N 0 3 313.441 4.839 10 0 DJAEHN CC(C)COc1ccc([C@@H](C)N[C@H](C)c2cccc(O)c2)cc1 ZINC000192845221 336267339 /nfs/dbraw/zinc/26/73/39/336267339.db2.gz IWAQBKIJJNAWSN-HZPDHXFCSA-N 0 3 313.441 4.839 10 0 DJAEHN Cc1cccc2c(NC[C@H]3CCO[C@@H]3c3ccccc3)ccnc12 ZINC000301663686 336321730 /nfs/dbraw/zinc/32/17/30/336321730.db2.gz KOIISZJYRAAXDX-DYESRHJHSA-N 0 3 318.420 4.733 10 0 DJAEHN Cc1cccc2c(N[C@H]3CCO[C@H](c4ccccc4)C3)ccnc12 ZINC000302165583 336351885 /nfs/dbraw/zinc/35/18/85/336351885.db2.gz JEEMVGHHJIPYFR-PXNSSMCTSA-N 0 3 318.420 4.875 10 0 DJAEHN CCC[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272136 337161797 /nfs/dbraw/zinc/16/17/97/337161797.db2.gz VHVAAJLNTOQOKI-MOPGFXCFSA-N 0 3 311.425 4.650 10 0 DJAEHN CC[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F ZINC000180671527 337177016 /nfs/dbraw/zinc/17/70/16/337177016.db2.gz LBXVJJPETSNCIO-YWZLYKJASA-N 0 3 323.415 4.813 10 0 DJAEHN CC[C@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F ZINC000180671563 337177184 /nfs/dbraw/zinc/17/71/84/337177184.db2.gz LBXVJJPETSNCIO-QRWLVFNGSA-N 0 3 323.415 4.813 10 0 DJAEHN CCc1nc(C)c([C@H](C)N[C@H]2CCCc3cc(F)ccc32)s1 ZINC000090964045 337887633 /nfs/dbraw/zinc/88/76/33/337887633.db2.gz FTEUMPRRGWTJIE-ZBEGNZNMSA-N 0 3 318.461 4.881 10 0 DJAEHN C[C@@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441995 339238829 /nfs/dbraw/zinc/23/88/29/339238829.db2.gz JTNOTFUBEBSSQB-YVECIDJPSA-N 0 3 316.272 4.848 10 0 DJAEHN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccc(Cl)s1 ZINC000235517352 340660414 /nfs/dbraw/zinc/66/04/14/340660414.db2.gz PRKUHBPXAXVSBO-IINYFYTJSA-N 0 3 307.846 4.835 10 0 DJAEHN COc1ccc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000074335233 341144048 /nfs/dbraw/zinc/14/40/48/341144048.db2.gz STMFKOUBEGGMSK-STQMWFEESA-N 0 3 319.832 4.769 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000182165508 519734122 /nfs/dbraw/zinc/73/41/22/519734122.db2.gz NWGRTAQVHJAYLS-WIEQDCTASA-N 0 3 322.452 4.934 10 0 DJAEHN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912671 524025977 /nfs/dbraw/zinc/02/59/77/524025977.db2.gz GVTZNQDMIWCHJG-CABCVRRESA-N 0 3 310.441 4.619 10 0 DJAEHN Cc1cccc(COc2ccc(Cl)cc2CNC(C)C)c1 ZINC000034815530 563246458 /nfs/dbraw/zinc/24/64/58/563246458.db2.gz SAYQBHAQUDPGCG-UHFFFAOYSA-N 0 3 303.833 4.725 10 0 DJAEHN Cc1cc(-c2ccc(CNC(C)C)o2)ccc1Br ZINC000010436375 563356946 /nfs/dbraw/zinc/35/69/46/563356946.db2.gz IMJLIWQVAKLXTH-UHFFFAOYSA-N 0 3 308.219 4.516 10 0 DJAEHN CS[C@H](C)CCN(Cc1sccc1C)Cc1ccccn1 ZINC000055109314 563471885 /nfs/dbraw/zinc/47/18/85/563471885.db2.gz FCFZAVOXXWLUNX-OAHLLOKOSA-N 0 3 320.527 4.595 10 0 DJAEHN CCCN[C@H](C)c1csc(-c2cccc(OCCC)c2)n1 ZINC000076784394 185041194 /nfs/dbraw/zinc/04/11/94/185041194.db2.gz HJKQZJVFPCUTQP-CYBMUJFWSA-N 0 3 304.459 4.660 10 0 DJAEHN O=C(c1ccccc1)[C@H](CCCN1CCCCC1)c1ccccc1 ZINC000003602168 181039012 /nfs/dbraw/zinc/03/90/12/181039012.db2.gz RNIBVRFWGZKRNH-OAQYLSRUSA-N 0 3 321.464 4.919 10 0 DJAEHN CC[C@@H](NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000019943877 182168459 /nfs/dbraw/zinc/16/84/59/182168459.db2.gz NVLVICHWFSUMRJ-MRXNPFEDSA-N 0 3 322.221 4.829 10 0 DJAEHN CCC(CC)[C@H](N)c1cc(Cl)cc(Br)c1OC ZINC000019967841 182171285 /nfs/dbraw/zinc/17/12/85/182171285.db2.gz DSFDHJNFZMLMPL-LBPRGKRZSA-N 0 3 320.658 4.547 10 0 DJAEHN Cc1cc(C)c([C@@H](N)c2cc(F)ccc2Br)c(C)c1 ZINC000019968654 182171850 /nfs/dbraw/zinc/17/18/50/182171850.db2.gz JOTIXMNWEOIJCK-INIZCTEOSA-N 0 3 322.221 4.562 10 0 DJAEHN C[C@H](N)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl ZINC000020015137 182178270 /nfs/dbraw/zinc/17/82/70/182178270.db2.gz CEAWNNMOCITYQN-QMMMGPOBSA-N 0 3 300.160 4.945 10 0 DJAEHN C[C@H](NCc1ccc(Br)s1)c1ccc(F)cc1 ZINC000020095828 182186151 /nfs/dbraw/zinc/18/61/51/182186151.db2.gz SYVBVGHVPQFITA-VIFPVBQESA-N 0 3 314.223 4.501 10 0 DJAEHN CC[C@@H](N[C@@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121401 182189187 /nfs/dbraw/zinc/18/91/87/182189187.db2.gz ABICGZUGDNRSFN-BLLLJJGKSA-N 0 3 319.246 4.646 10 0 DJAEHN Cc1ccc(Oc2ccc(F)cc2[C@@H](C)N)c(Br)c1 ZINC000020077945 182185242 /nfs/dbraw/zinc/18/52/42/182185242.db2.gz MHWOCHRMUHJOMH-SNVBAGLBSA-N 0 3 324.193 4.709 10 0 DJAEHN C[C@@H](NC[C@@H](C)c1ccccc1)c1ccccc1Br ZINC000021013856 182260837 /nfs/dbraw/zinc/26/08/37/182260837.db2.gz JKZNXWDWXQUGCM-ZIAGYGMSSA-N 0 3 318.258 4.903 10 0 DJAEHN C[C@@H](CN[C@@H](C)c1ccccc1Br)c1ccccc1 ZINC000021013853 182260853 /nfs/dbraw/zinc/26/08/53/182260853.db2.gz JKZNXWDWXQUGCM-KBPBESRZSA-N 0 3 318.258 4.903 10 0 DJAEHN CCCc1ccc([C@@H](N)c2ccc(F)cc2Br)cc1 ZINC000021520815 182278576 /nfs/dbraw/zinc/27/85/76/182278576.db2.gz NCLQWOLQQJZYTG-MRXNPFEDSA-N 0 3 322.221 4.589 10 0 DJAEHN CC[C@@H](N)c1ccc(-c2ccc(Br)cc2F)s1 ZINC000036984511 182859240 /nfs/dbraw/zinc/85/92/40/182859240.db2.gz XJVUKTRXDCPCQG-LLVKDONJSA-N 0 3 314.223 4.727 10 0 DJAEHN C[C@H](NCCc1ccsc1)c1cc(Cl)ccc1Cl ZINC000042599114 183289528 /nfs/dbraw/zinc/28/95/28/183289528.db2.gz OSAULJCSOQSAPF-JTQLQIEISA-N 0 3 300.254 4.948 10 0 DJAEHN CCCN[C@H](Cc1cccc(C)c1)c1ccc(Br)o1 ZINC000052127562 183851386 /nfs/dbraw/zinc/85/13/86/183851386.db2.gz CFMJQXREJBLAIQ-CQSZACIVSA-N 0 3 322.246 4.634 10 0 DJAEHN CCOc1c(Cl)cc(CNCc2cccs2)cc1Cl ZINC000059585070 184139642 /nfs/dbraw/zinc/13/96/42/184139642.db2.gz ZDLJKLYORGPQPO-UHFFFAOYSA-N 0 3 316.253 4.743 10 0 DJAEHN C[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000274857649 130267667 /nfs/dbraw/zinc/26/76/67/130267667.db2.gz CJBAAPSOPOZRKP-GRZMOONWSA-N 0 3 306.759 4.507 10 0 DJAEHN CCc1ccc(CN[C@H](C)c2cccc(Br)c2)cc1 ZINC000035231352 331488456 /nfs/dbraw/zinc/48/84/56/331488456.db2.gz UWXGQIPYWUMXQJ-CYBMUJFWSA-N 0 3 318.258 4.862 10 0 DJAEHN CC[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000036979186 331530974 /nfs/dbraw/zinc/53/09/74/331530974.db2.gz INUGURVDLOSSMD-DLBZAZTESA-N 0 3 301.817 4.905 10 0 DJAEHN Cc1noc(C)c1CCN[C@H](c1ccccc1)c1ccccc1C ZINC000180499867 331570915 /nfs/dbraw/zinc/57/09/15/331570915.db2.gz MPUWQLHDAZZZTB-OAQYLSRUSA-N 0 3 320.436 4.522 10 0 DJAEHN Cc1cc(CN[C@H](C)c2cccc(Br)c2)cs1 ZINC000310325325 331765572 /nfs/dbraw/zinc/76/55/72/331765572.db2.gz YOLUYBMTFPXXSM-LLVKDONJSA-N 0 3 310.260 4.670 10 0 DJAEHN C[C@@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000020209645 333286225 /nfs/dbraw/zinc/28/62/25/333286225.db2.gz NFINNBDEQSAQLJ-LLVKDONJSA-N 0 3 324.649 4.953 10 0 DJAEHN Cc1ccc2cc(CN[C@@H](C)c3ccc(F)c(F)c3)ccc2n1 ZINC000187637970 334266190 /nfs/dbraw/zinc/26/61/90/334266190.db2.gz STXOANDUJGWALQ-ZDUSSCGKSA-N 0 3 312.363 4.672 10 0 DJAEHN CCCOc1ccc([C@@H](C)NCc2cccc(Cl)c2)cc1 ZINC000050198758 334374139 /nfs/dbraw/zinc/37/41/39/334374139.db2.gz JJCUTLWJUSWPIP-CQSZACIVSA-N 0 3 303.833 4.980 10 0 DJAEHN Cc1ccc([C@H](C)NCc2ccc(Br)cc2)cc1C ZINC000042352384 336239609 /nfs/dbraw/zinc/23/96/09/336239609.db2.gz QZPLRRLYSIGKHH-AWEZNQCLSA-N 0 3 318.258 4.917 10 0 DJAEHN Cc1ccc(C)c(CN[C@@H](C)c2cccc(Br)c2)c1 ZINC000042361195 336239782 /nfs/dbraw/zinc/23/97/82/336239782.db2.gz VBWXDLCCWFVPNF-AWEZNQCLSA-N 0 3 318.258 4.917 10 0 DJAEHN CC(C)Oc1ccc([C@H](C)N[C@@H]2CCOc3ccccc32)cc1 ZINC000192706618 336259106 /nfs/dbraw/zinc/25/91/06/336259106.db2.gz WYUDDOCYQAILJX-HNAYVOBHSA-N 0 3 311.425 4.648 10 0 DJAEHN CCCOc1ccc([C@@H](C)N[C@@H]2CCOc3ccccc32)cc1 ZINC000192794798 336262042 /nfs/dbraw/zinc/26/20/42/336262042.db2.gz SKXHMLAIWPFXPU-DNVCBOLYSA-N 0 3 311.425 4.650 10 0 DJAEHN Cc1cc(NC[C@@H]2CCO[C@@H]2c2ccccc2)c2ccccc2n1 ZINC000301426022 336305896 /nfs/dbraw/zinc/30/58/96/336305896.db2.gz PBCBMBMVNZQUPH-LAUBAEHRSA-N 0 3 318.420 4.733 10 0 DJAEHN Cc1cccc2c(NCc3coc(-c4ccccc4)n3)ccnc12 ZINC000301663751 336321748 /nfs/dbraw/zinc/32/17/48/336321748.db2.gz KRENLCCLZQBXON-UHFFFAOYSA-N 0 3 315.376 4.810 10 0 DJAEHN Fc1ccc(CN2CC[C@@]3(C2)CCC[C@@H](C(F)(F)F)C3)cc1 ZINC000584624952 337375291 /nfs/dbraw/zinc/37/52/91/337375291.db2.gz RPLIZPPYRXCFMZ-ZBFHGGJFSA-N 0 3 315.354 4.770 10 0 DJAEHN Cc1cncc([C@H](C)N[C@H](C)c2ccc(OCC(C)C)cc2)c1 ZINC000184388653 340492607 /nfs/dbraw/zinc/49/26/07/340492607.db2.gz NLYDPKHPOMGFKH-SJORKVTESA-N 0 3 312.457 4.837 10 0 DJAEHN COCCCCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000222980598 340542670 /nfs/dbraw/zinc/54/26/70/340542670.db2.gz CDWAJMDTCLHAQI-JTQLQIEISA-N 0 3 308.224 4.600 10 0 DJAEHN COc1cccc([C@@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000128961546 340931953 /nfs/dbraw/zinc/93/19/53/340931953.db2.gz LQXUHTANSYZUKA-RDTXWAMCSA-N 0 3 311.425 4.648 10 0 DJAEHN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000074335241 341144140 /nfs/dbraw/zinc/14/41/40/341144140.db2.gz STMFKOUBEGGMSK-QWHCGFSZSA-N 0 3 319.832 4.769 10 0 DJAEHN C[C@@H](N[C@@H](C)c1ccccn1)[C@H](C)c1nc2ccccc2s1 ZINC000248030322 341372462 /nfs/dbraw/zinc/37/24/62/341372462.db2.gz QGHIEWITZPFWQY-MJBXVCDLSA-N 0 3 311.454 4.534 10 0 DJAEHN Cc1c([C@@H](C)N[C@H]2c3cc(C)ccc3C[C@H]2C)cnn1C(C)C ZINC000248711218 341384933 /nfs/dbraw/zinc/38/49/33/341384933.db2.gz QBZSZEVCXKPPEZ-STXHMFSFSA-N 0 3 311.473 4.665 10 0 DJAEHN CC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000181912241 519733044 /nfs/dbraw/zinc/73/30/44/519733044.db2.gz YHVWLKKSPYNWLQ-OLZOCXBDSA-N 0 3 316.832 4.710 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000182165546 519733873 /nfs/dbraw/zinc/73/38/73/519733873.db2.gz NWGRTAQVHJAYLS-LRAJWGHMSA-N 0 3 322.452 4.934 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)cc1 ZINC000182224336 519733987 /nfs/dbraw/zinc/73/39/87/519733987.db2.gz IOYITQMUHSGLBW-GXZWQRSESA-N 0 3 322.452 4.538 10 0 DJAEHN COc1cc([C@H](C)N[C@H](C)c2cccs2)ccc1SC ZINC000178176924 522948021 /nfs/dbraw/zinc/94/80/21/522948021.db2.gz LMHWGMCJZBIMIZ-NWDGAFQWSA-N 0 3 307.484 4.890 10 0 DJAEHN Cc1cc(Br)ccc1-c1ccc(CNC(C)C)o1 ZINC000010436379 563356866 /nfs/dbraw/zinc/35/68/66/563356866.db2.gz DYOVMMODVPOEPB-UHFFFAOYSA-N 0 3 308.219 4.516 10 0 DJAEHN c1cc(CNCc2ccc3[nH]c4c(c3c2)CCCCCC4)ccn1 ZINC000012208601 563364746 /nfs/dbraw/zinc/36/47/46/563364746.db2.gz DYVLBIKOHLGQMX-UHFFFAOYSA-N 0 3 319.452 4.512 10 0 DJAEHN COc1ccc(-c2ccc(CNCCC(C)C)o2)cc1Cl ZINC000013724410 563387923 /nfs/dbraw/zinc/38/79/23/563387923.db2.gz JUATWRUXGUAPMJ-UHFFFAOYSA-N 0 3 307.821 4.744 10 0 DJAEHN CCNCc1ccccc1OCc1c(Cl)cccc1Cl ZINC000033454441 563770325 /nfs/dbraw/zinc/77/03/25/563770325.db2.gz BSYXFYUTZYYDJG-UHFFFAOYSA-N 0 3 310.224 4.682 10 0 DJAEHN CCOc1ccccc1Nc1c2c(nc3ccccc31)CCC2 ZINC000004923606 181173736 /nfs/dbraw/zinc/17/37/36/181173736.db2.gz HUSNFJGVKJNUCS-UHFFFAOYSA-N 0 3 304.393 4.866 10 0 DJAEHN C[C@@]1(c2ccccc2)CCCN(Cc2cncn2C2CCCC2)C1 ZINC000091445273 193057029 /nfs/dbraw/zinc/05/70/29/193057029.db2.gz QCSFEANHQDKXNK-OAQYLSRUSA-N 0 3 323.484 4.552 10 0 DJAEHN C[C@]1(c2ccccc2)CCCN(Cc2cncn2C2CCCC2)C1 ZINC000091445272 193056576 /nfs/dbraw/zinc/05/65/76/193056576.db2.gz QCSFEANHQDKXNK-NRFANRHFSA-N 0 3 323.484 4.552 10 0 DJAEHN CC(C)(C)c1ccc(O[C@@H](CN)c2cccc(Cl)c2)cc1 ZINC000019671254 182135021 /nfs/dbraw/zinc/13/50/21/182135021.db2.gz KRXWNBJKWMBYGX-KRWDZBQOSA-N 0 3 303.833 4.716 10 0 DJAEHN Cc1cc(O[C@H](CN)c2cccc(Cl)c2)cc(C)c1Cl ZINC000019671384 182135072 /nfs/dbraw/zinc/13/50/72/182135072.db2.gz WKZPDVFLQBFSGI-OAHLLOKOSA-N 0 3 310.224 4.689 10 0 DJAEHN C[C@H](NCc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000020121856 182189252 /nfs/dbraw/zinc/18/92/52/182189252.db2.gz OARMFROPVRCEAT-NSHDSACASA-N 0 3 324.649 4.953 10 0 DJAEHN C[C@@H](N[C@@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129716 182190280 /nfs/dbraw/zinc/19/02/80/182190280.db2.gz GYVLTUFUBDWOIL-SJKOYZFVSA-N 0 3 316.242 4.787 10 0 DJAEHN NCc1sc(-c2ccccc2Cl)nc1-c1ccccc1 ZINC000020184380 182194859 /nfs/dbraw/zinc/19/48/59/182194859.db2.gz VTJGFRPQZALGMT-UHFFFAOYSA-N 0 3 300.814 4.589 10 0 DJAEHN C[C@H](CN[C@@H](C)c1ccccc1Br)c1ccccc1 ZINC000021013854 182260590 /nfs/dbraw/zinc/26/05/90/182260590.db2.gz JKZNXWDWXQUGCM-KGLIPLIRSA-N 0 3 318.258 4.903 10 0 DJAEHN CCCc1ccc([C@@H](N)c2cc(F)ccc2Br)cc1 ZINC000021028726 182262474 /nfs/dbraw/zinc/26/24/74/182262474.db2.gz UCDYQZKJHVQBJY-MRXNPFEDSA-N 0 3 322.221 4.589 10 0 DJAEHN CCN([C@@H](CN)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021041558 182262695 /nfs/dbraw/zinc/26/26/95/182262695.db2.gz LCKQJEFBEHMGHP-INIZCTEOSA-N 0 3 315.288 4.648 10 0 DJAEHN CCCC[C@H](N)c1nc2cc(Br)ccc2n1C(C)C ZINC000037441743 182894371 /nfs/dbraw/zinc/89/43/71/182894371.db2.gz XIGLEXPYJBHSHE-LBPRGKRZSA-N 0 3 324.266 4.570 10 0 DJAEHN Cc1cc(NCc2cccnc2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570856 183103686 /nfs/dbraw/zinc/10/36/86/183103686.db2.gz CQNCEPWWMPVIKR-UHFFFAOYSA-N 0 3 317.314 4.569 10 0 DJAEHN CCCN[C@@H](c1sccc1C)c1ccccc1Br ZINC000042730252 183302918 /nfs/dbraw/zinc/30/29/18/183302918.db2.gz FDJYVDNXWSVCHJ-CQSZACIVSA-N 0 3 324.287 4.908 10 0 DJAEHN CCCN[C@H](c1sccc1C)c1ccccc1Br ZINC000042730249 183303098 /nfs/dbraw/zinc/30/30/98/183303098.db2.gz FDJYVDNXWSVCHJ-AWEZNQCLSA-N 0 3 324.287 4.908 10 0 DJAEHN NC[C@H](Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000042948353 183320618 /nfs/dbraw/zinc/32/06/18/183320618.db2.gz SWRMXQUOSHVWLL-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN Cc1cc(Br)cc2c1oc(CN)c2-c1ccccc1 ZINC000063061871 184268565 /nfs/dbraw/zinc/26/85/65/184268565.db2.gz OFJLQWUQGJMBBH-UHFFFAOYSA-N 0 3 316.198 4.629 10 0 DJAEHN C[C@H](NC1CCSCC1)c1c(Cl)ccc(F)c1Cl ZINC000132137342 332103635 /nfs/dbraw/zinc/10/36/35/332103635.db2.gz ITNPUFNSDOVPOJ-QMMMGPOBSA-N 0 3 308.249 4.679 10 0 DJAEHN Cc1cccc([C@@H](C)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000151719097 332606692 /nfs/dbraw/zinc/60/66/92/332606692.db2.gz ZWYSDJBVCCUITD-SJORKVTESA-N 0 3 305.425 4.593 10 0 DJAEHN C[C@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000020209647 333286133 /nfs/dbraw/zinc/28/61/33/333286133.db2.gz NFINNBDEQSAQLJ-NSHDSACASA-N 0 3 324.649 4.953 10 0 DJAEHN C[C@H](COCc1ccccc1)N[C@H](C)c1csc(Cl)c1 ZINC000390560370 333300837 /nfs/dbraw/zinc/30/08/37/333300837.db2.gz LJORNTWMNYFEET-CHWSQXEVSA-N 0 3 309.862 4.657 10 0 DJAEHN C[C@H](N[C@@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226623 333341621 /nfs/dbraw/zinc/34/16/21/333341621.db2.gz BEJGSIHNPIZXDV-IINYFYTJSA-N 0 3 322.271 4.849 10 0 DJAEHN CC(C)Oc1cccc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000040444246 333353272 /nfs/dbraw/zinc/35/32/72/333353272.db2.gz HYLJHCZJNFWGQH-AWEZNQCLSA-N 0 3 303.833 4.978 10 0 DJAEHN COCc1cc([C@@H](C)N[C@@H](C)c2ccccc2C)ccc1OC ZINC000123382024 333468416 /nfs/dbraw/zinc/46/84/16/333468416.db2.gz QAQXTAQEBRAYIB-CVEARBPZSA-N 0 3 313.441 4.562 10 0 DJAEHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1c(Cl)ccc(F)c1Cl ZINC000388869273 335593061 /nfs/dbraw/zinc/59/30/61/335593061.db2.gz LBVNLEKYFQCCNR-DCAQKATOSA-N 0 3 320.235 4.598 10 0 DJAEHN Clc1ccc([C@@H](N[C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003051 336286906 /nfs/dbraw/zinc/28/69/06/336286906.db2.gz JROKMSPZJGPCII-MJGOQNOKSA-N 0 3 313.828 4.905 10 0 DJAEHN Cc1cccc2c(N3C[C@H](C)O[C@@H](c4ccsc4)C3)ccnc12 ZINC000301721588 336325563 /nfs/dbraw/zinc/32/55/63/336325563.db2.gz QRCKSZHBYXPOFA-KBXCAEBGSA-N 0 3 324.449 4.571 10 0 DJAEHN Cc1cccc2c(N[C@@H]3CCO[C@H](c4ccccc4)C3)ccnc12 ZINC000302165584 336351937 /nfs/dbraw/zinc/35/19/37/336351937.db2.gz JEEMVGHHJIPYFR-XLIONFOSSA-N 0 3 318.420 4.875 10 0 DJAEHN Cc1cccc2c(N[C@H]3CCO[C@@H](c4ccccc4)C3)ccnc12 ZINC000302165582 336351945 /nfs/dbraw/zinc/35/19/45/336351945.db2.gz JEEMVGHHJIPYFR-FXAWDEMLSA-N 0 3 318.420 4.875 10 0 DJAEHN COc1ccc([C@H](C)NCc2ccc(C)c(Cl)c2)cc1OC ZINC000193733996 337079251 /nfs/dbraw/zinc/07/92/51/337079251.db2.gz KGYCFTWVCGPYGT-ZDUSSCGKSA-N 0 3 319.832 4.516 10 0 DJAEHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900338 337080033 /nfs/dbraw/zinc/08/00/33/337080033.db2.gz IEKPWANAGOYVJL-JKSUJKDBSA-N 0 3 313.441 4.732 10 0 DJAEHN CC[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F ZINC000180671548 337177129 /nfs/dbraw/zinc/17/71/29/337177129.db2.gz LBXVJJPETSNCIO-MGPUTAFESA-N 0 3 323.415 4.813 10 0 DJAEHN Fc1ccc(CN2CC[C@]3(C2)CCC[C@H](C(F)(F)F)C3)cc1 ZINC000584624950 337375368 /nfs/dbraw/zinc/37/53/68/337375368.db2.gz RPLIZPPYRXCFMZ-GOEBONIOSA-N 0 3 315.354 4.770 10 0 DJAEHN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000248706365 337566821 /nfs/dbraw/zinc/56/68/21/337566821.db2.gz AUAWRHVGJIDGHG-MKPLZMMCSA-N 0 3 320.285 4.663 10 0 DJAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000248706367 337566823 /nfs/dbraw/zinc/56/68/23/337566823.db2.gz AUAWRHVGJIDGHG-PTOFAABTSA-N 0 3 320.285 4.663 10 0 DJAEHN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000164663687 339024600 /nfs/dbraw/zinc/02/46/00/339024600.db2.gz ZKFQMJXWXSGELK-ZIAGYGMSSA-N 0 3 300.421 4.930 10 0 DJAEHN C[C@H](NCC1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454202 339239543 /nfs/dbraw/zinc/23/95/43/339239543.db2.gz IDMJWVAODWSRDZ-BBBLOLIVSA-N 0 3 322.301 4.909 10 0 DJAEHN Cc1c([C@@H](C)N[C@@H]2CCCc3cc(F)ccc32)cnn1C(C)C ZINC000191404596 340554127 /nfs/dbraw/zinc/55/41/27/340554127.db2.gz OALQKXIGAFQZIX-BFUOFWGJSA-N 0 3 315.436 4.640 10 0 DJAEHN CCc1nc2c(s1)[C@H](N[C@H](C)c1ccccc1C)CCC2 ZINC000153186365 341528559 /nfs/dbraw/zinc/52/85/59/341528559.db2.gz SAJBWMODJPVXAN-UKRRQHHQSA-N 0 3 300.471 4.742 10 0 DJAEHN CCc1ccc([C@H](C)N[C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912696 524046991 /nfs/dbraw/zinc/04/69/91/524046991.db2.gz GVTZNQDMIWCHJG-GJZGRUSLSA-N 0 3 310.441 4.619 10 0 DJAEHN CCc1ccc([C@H](C)N[C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912736 524047551 /nfs/dbraw/zinc/04/75/51/524047551.db2.gz GVTZNQDMIWCHJG-LSDHHAIUSA-N 0 3 310.441 4.619 10 0 DJAEHN C[C@H](N[C@@H](C)c1cc(Br)cs1)c1cccs1 ZINC000193943624 525528382 /nfs/dbraw/zinc/52/83/82/525528382.db2.gz OADZEHCQNPUETJ-IUCAKERBSA-N 0 3 316.289 4.984 10 0 DJAEHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccs1)CCS2 ZINC000191486790 525591924 /nfs/dbraw/zinc/59/19/24/525591924.db2.gz VBANGDRARJOLIP-SMDDNHRTSA-N 0 3 305.468 4.644 10 0 DJAEHN CCCCOCCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000013720008 563387516 /nfs/dbraw/zinc/38/75/16/563387516.db2.gz UFSVPSGWDQVQGZ-UHFFFAOYSA-N 0 3 321.848 4.896 10 0 DJAEHN CCCCOCCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013720002 563387546 /nfs/dbraw/zinc/38/75/46/563387546.db2.gz WLOYIRUSMARTRE-UHFFFAOYSA-N 0 3 321.848 4.896 10 0 DJAEHN NCc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000095585344 185381570 /nfs/dbraw/zinc/38/15/70/185381570.db2.gz UDZZGZUQRALTCQ-UHFFFAOYSA-N 0 3 302.588 4.898 10 0 DJAEHN CCCc1nc(-c2ccc(Cl)c(Cl)c2)sc1CN ZINC000082431962 185181845 /nfs/dbraw/zinc/18/18/45/185181845.db2.gz QZJJVHFDHAFLKM-UHFFFAOYSA-N 0 3 301.242 4.528 10 0 DJAEHN CCCSCc1nc(C(C)(C)C)c(CNC(C)C)s1 ZINC000082439769 185182768 /nfs/dbraw/zinc/18/27/68/185182768.db2.gz CENVSFPVTIWGMX-UHFFFAOYSA-N 0 3 300.537 4.582 10 0 DJAEHN Cc1c(Cl)cccc1-c1ccc(CNCCCOC(C)C)o1 ZINC000013721978 181883420 /nfs/dbraw/zinc/88/34/20/181883420.db2.gz SDJVVAZSYACOLH-UHFFFAOYSA-N 0 3 321.848 4.813 10 0 DJAEHN CC(C)c1ccc([C@@H](N)c2ccc(Br)cc2)cc1 ZINC000019804141 182151557 /nfs/dbraw/zinc/15/15/57/182151557.db2.gz HYDISAMGPAWYOU-MRXNPFEDSA-N 0 3 304.231 4.621 10 0 DJAEHN Cc1cc(C)c([C@@H](N)c2ccc(F)cc2Br)c(C)c1 ZINC000019968640 182171572 /nfs/dbraw/zinc/17/15/72/182171572.db2.gz XPMDNNADIXLYSI-INIZCTEOSA-N 0 3 322.221 4.562 10 0 DJAEHN C[C@@H](N[C@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129718 182190049 /nfs/dbraw/zinc/19/00/49/182190049.db2.gz GYVLTUFUBDWOIL-PXAZEXFGSA-N 0 3 316.242 4.787 10 0 DJAEHN C[C@H](N)c1cc(F)ccc1Oc1ccc(Cl)cc1Cl ZINC000020565041 182233497 /nfs/dbraw/zinc/23/34/97/182233497.db2.gz RXOHPVXPGNSGBU-QMMMGPOBSA-N 0 3 300.160 4.945 10 0 DJAEHN CCCC[C@@H](CC)[C@@H](N)c1cc(Br)ccc1OC ZINC000020586530 182235478 /nfs/dbraw/zinc/23/54/78/182235478.db2.gz VZYBMPKPAWDIGO-IAQYHMDHSA-N 0 3 314.267 4.674 10 0 DJAEHN CCN([C@H](CN)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021041563 182263118 /nfs/dbraw/zinc/26/31/18/182263118.db2.gz LCKQJEFBEHMGHP-MRXNPFEDSA-N 0 3 315.288 4.648 10 0 DJAEHN C[C@H](N)c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000041566995 183203728 /nfs/dbraw/zinc/20/37/28/183203728.db2.gz WSFSHMBQADGDRG-VIFPVBQESA-N 0 3 314.187 4.731 10 0 DJAEHN CCCN[C@@H](c1ccc(Br)o1)c1sccc1C ZINC000042730119 183302778 /nfs/dbraw/zinc/30/27/78/183302778.db2.gz JSNNAHAEOOUTFJ-LBPRGKRZSA-N 0 3 314.248 4.501 10 0 DJAEHN CCN[C@@H](c1sccc1C)c1ccc(Br)cc1C ZINC000042729639 183303028 /nfs/dbraw/zinc/30/30/28/183303028.db2.gz HGMINAVOUIQWFV-CQSZACIVSA-N 0 3 324.287 4.826 10 0 DJAEHN CC[C@H](NC[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816094 183312389 /nfs/dbraw/zinc/31/23/89/183312389.db2.gz NEGBEWJCNBQKPR-DOMZBBRYSA-N 0 3 302.245 4.603 10 0 DJAEHN C[C@@H](COCc1ccccc1)NCc1csc2ccccc12 ZINC000390539839 333293241 /nfs/dbraw/zinc/29/32/41/333293241.db2.gz QOOKBAFSEMORPY-HNNXBMFYSA-N 0 3 311.450 4.596 10 0 DJAEHN C[C@@H](COCc1ccccc1)N[C@@H](C)c1ccc(Cl)s1 ZINC000390544734 333296477 /nfs/dbraw/zinc/29/64/77/333296477.db2.gz TXSGNMRRFRQQGV-STQMWFEESA-N 0 3 309.862 4.657 10 0 DJAEHN CC[C@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842824 333379543 /nfs/dbraw/zinc/37/95/43/333379543.db2.gz YQGCPCNBUHQTRZ-DYVFJYSZSA-N 0 3 317.404 4.645 10 0 DJAEHN Cc1ccc2cc(CN[C@H](C)c3ccc(F)c(F)c3)ccc2n1 ZINC000187637989 334266243 /nfs/dbraw/zinc/26/62/43/334266243.db2.gz STXOANDUJGWALQ-CYBMUJFWSA-N 0 3 312.363 4.672 10 0 DJAEHN CCCOc1ccc([C@H](C)NCc2cccc(Cl)c2)cc1 ZINC000050198760 334374072 /nfs/dbraw/zinc/37/40/72/334374072.db2.gz JJCUTLWJUSWPIP-AWEZNQCLSA-N 0 3 303.833 4.980 10 0 DJAEHN CCc1ccc([C@@H](C)N[C@H](C)c2ccc(OC)c(OC)c2)s1 ZINC000194339590 338515396 /nfs/dbraw/zinc/51/53/96/338515396.db2.gz VYYHGBWCHGWVFT-CHWSQXEVSA-N 0 3 319.470 4.740 10 0 DJAEHN CCc1ccc([C@H](C)N[C@@H](C)c2ccc(OC)c(OC)c2)s1 ZINC000194339572 338515408 /nfs/dbraw/zinc/51/54/08/338515408.db2.gz VYYHGBWCHGWVFT-STQMWFEESA-N 0 3 319.470 4.740 10 0 DJAEHN CC(C)Oc1ccc([C@@H](C)N[C@@H]2CCOc3ccccc32)cc1 ZINC000192706605 336259137 /nfs/dbraw/zinc/25/91/37/336259137.db2.gz WYUDDOCYQAILJX-DNVCBOLYSA-N 0 3 311.425 4.648 10 0 DJAEHN Cc1ccc([C@@H](C)NCc2ccc(Br)cc2)c(C)c1 ZINC000037499045 336264446 /nfs/dbraw/zinc/26/44/46/336264446.db2.gz IDPNUEMLXWXCTM-CQSZACIVSA-N 0 3 318.258 4.917 10 0 DJAEHN CC(C)COc1ccc([C@H](C)N[C@H](C)c2cccc(O)c2)cc1 ZINC000192845233 336267353 /nfs/dbraw/zinc/26/73/53/336267353.db2.gz IWAQBKIJJNAWSN-JKSUJKDBSA-N 0 3 313.441 4.839 10 0 DJAEHN Cc1cccc2c(NC[C@@H]3CCO[C@@H]3c3ccccc3)ccnc12 ZINC000301663687 336321825 /nfs/dbraw/zinc/32/18/25/336321825.db2.gz KOIISZJYRAAXDX-LAUBAEHRSA-N 0 3 318.420 4.733 10 0 DJAEHN Fc1ccc(CN2CC[C@@]3(C2)CCC[C@H](C(F)(F)F)C3)cc1 ZINC000584624951 337375348 /nfs/dbraw/zinc/37/53/48/337375348.db2.gz RPLIZPPYRXCFMZ-HOCLYGCPSA-N 0 3 315.354 4.770 10 0 DJAEHN C[C@H](N[C@@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000246967053 337556498 /nfs/dbraw/zinc/55/64/98/337556498.db2.gz JDDOBMUAWOCADQ-DXCKQFNASA-N 0 3 321.873 4.506 10 0 DJAEHN Cc1cc(CN[C@H](C)c2ccc(F)c(F)c2)c2ccccc2n1 ZINC000105414603 337808229 /nfs/dbraw/zinc/80/82/29/337808229.db2.gz CGEVIEAUEZJKGH-CYBMUJFWSA-N 0 3 312.363 4.672 10 0 DJAEHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccccc1C)CCS2 ZINC000191486338 340554643 /nfs/dbraw/zinc/55/46/43/340554643.db2.gz IHYDYTGCSIBESO-KBXCAEBGSA-N 0 3 313.466 4.891 10 0 DJAEHN C[C@H](NC[C@H]1CCSC1)c1c(Cl)ccc(F)c1Cl ZINC000226374715 340583796 /nfs/dbraw/zinc/58/37/96/340583796.db2.gz NMSPZEMYAHKHAB-DTWKUNHWSA-N 0 3 308.249 4.536 10 0 DJAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)c1cccc(Cl)c1 ZINC000247604981 341367988 /nfs/dbraw/zinc/36/79/88/341367988.db2.gz LNMAVHAQIKILGB-DYVFJYSZSA-N 0 3 317.864 4.588 10 0 DJAEHN CC(=O)Nc1cccc([C@H](C)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000180230634 519748752 /nfs/dbraw/zinc/74/87/52/519748752.db2.gz KKHVRWOFXAOBNB-LRAJWGHMSA-N 0 3 322.452 4.538 10 0 DJAEHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000180230689 519748925 /nfs/dbraw/zinc/74/89/25/519748925.db2.gz KKHVRWOFXAOBNB-GXZWQRSESA-N 0 3 322.452 4.538 10 0 DJAEHN CC[C@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163794283 522750319 /nfs/dbraw/zinc/75/03/19/522750319.db2.gz HJKYEHWSIQDYSL-OALUTQOASA-N 0 3 322.452 4.959 10 0 DJAEHN CCc1ccc([C@@H](C)N[C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912717 524027061 /nfs/dbraw/zinc/02/70/61/524027061.db2.gz GVTZNQDMIWCHJG-HUUCEWRRSA-N 0 3 310.441 4.619 10 0 DJAEHN C[C@@H](N[C@@H](C)c1cccnc1)[C@@H](C)c1nc2ccccc2s1 ZINC000178314209 525617450 /nfs/dbraw/zinc/61/74/50/525617450.db2.gz NHHIYHIMZQTXNE-MCIONIFRSA-N 0 3 311.454 4.534 10 0 DJAEHN CCNCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000033454427 563770126 /nfs/dbraw/zinc/77/01/26/563770126.db2.gz ZBLUYENBPXKDQC-UHFFFAOYSA-N 0 3 310.224 4.682 10 0 DJAEHN Cc1ccc(COc2ccc(Cl)cc2CNC(C)C)cc1 ZINC000010436363 563649204 /nfs/dbraw/zinc/64/92/04/563649204.db2.gz TUCNVYZOEDJKNS-UHFFFAOYSA-N 0 3 303.833 4.725 10 0 DJAEHN CCNCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427587 563751384 /nfs/dbraw/zinc/75/13/84/563751384.db2.gz PUWZRZRXRHHWMG-UHFFFAOYSA-N 0 3 324.251 4.990 10 0 DJAEHN CCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C)cc32)cc1 ZINC000005584467 181260471 /nfs/dbraw/zinc/26/04/71/181260471.db2.gz AEWQOWIZGWLFIJ-UHFFFAOYSA-N 0 3 320.392 4.772 10 0 DJAEHN CC(C)(C)c1ccc(O[C@H](CN)c2ccc(Cl)cc2)cc1 ZINC000019671041 182135063 /nfs/dbraw/zinc/13/50/63/182135063.db2.gz JJTQTMBATIDPCW-QGZVFWFLSA-N 0 3 303.833 4.716 10 0 DJAEHN Cc1cc(C)c([C@H](N)c2cc(F)ccc2Br)c(C)c1 ZINC000019968655 182171568 /nfs/dbraw/zinc/17/15/68/182171568.db2.gz JOTIXMNWEOIJCK-MRXNPFEDSA-N 0 3 322.221 4.562 10 0 DJAEHN CC[C@H](NCc1cccc(F)c1)c1ccc(Br)cc1 ZINC000020305583 182205184 /nfs/dbraw/zinc/20/51/84/182205184.db2.gz WZQXYTMJDCTZRK-INIZCTEOSA-N 0 3 322.221 4.829 10 0 DJAEHN CCCOc1ccc(Cl)cc1CNCCc1ccccc1F ZINC000020928884 182254142 /nfs/dbraw/zinc/25/41/42/182254142.db2.gz YDKLJHNSZCALHI-UHFFFAOYSA-N 0 3 321.823 4.600 10 0 DJAEHN CCCOc1ccc(CN[C@H](C)c2ccccc2)cc1Cl ZINC000020925438 182254610 /nfs/dbraw/zinc/25/46/10/182254610.db2.gz YGUPEBLZGBAMMP-CQSZACIVSA-N 0 3 303.833 4.980 10 0 DJAEHN Cc1ccc(COc2ccc3ccccc3c2CNC2CC2)cc1 ZINC000020874250 182250838 /nfs/dbraw/zinc/25/08/38/182250838.db2.gz FSZJKJWAMMGKQU-UHFFFAOYSA-N 0 3 317.432 4.979 10 0 DJAEHN Cc1ccc(COc2ccc(Cl)cc2CNCC(C)C)cc1 ZINC000020875130 182251296 /nfs/dbraw/zinc/25/12/96/182251296.db2.gz RYJHODSCYFUQRN-UHFFFAOYSA-N 0 3 317.860 4.973 10 0 DJAEHN CC(C)c1ccc([C@@H](N)c2cccc(Br)c2)cc1 ZINC000036819787 182845703 /nfs/dbraw/zinc/84/57/03/182845703.db2.gz CLELCQZOYPINOR-MRXNPFEDSA-N 0 3 304.231 4.621 10 0 DJAEHN CC(C)NCc1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000041010123 183155799 /nfs/dbraw/zinc/15/57/99/183155799.db2.gz WHSUABMCWYGJQL-UHFFFAOYSA-N 0 3 301.242 4.615 10 0 DJAEHN CCCN[C@H](c1ccc(Br)o1)c1sccc1C ZINC000042730121 183302553 /nfs/dbraw/zinc/30/25/53/183302553.db2.gz JSNNAHAEOOUTFJ-GFCCVEGCSA-N 0 3 314.248 4.501 10 0 DJAEHN NC[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000042949740 183320736 /nfs/dbraw/zinc/32/07/36/183320736.db2.gz AHVXFGKPOXBZBF-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000042947983 183321052 /nfs/dbraw/zinc/32/10/52/183321052.db2.gz GLTCAYZALKPTMO-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000043018750 183328517 /nfs/dbraw/zinc/32/85/17/183328517.db2.gz RKFCDAVZHXMFMX-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN CC[C@@H](NC[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815132 183312056 /nfs/dbraw/zinc/31/20/56/183312056.db2.gz MHYHOPMDXCXDFL-IUODEOHRSA-N 0 3 302.245 4.603 10 0 DJAEHN NC[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000043088669 183334877 /nfs/dbraw/zinc/33/48/77/183334877.db2.gz GLAJYCHWVWUELG-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000043088672 183335314 /nfs/dbraw/zinc/33/53/14/183335314.db2.gz GLAJYCHWVWUELG-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN CCc1ccc(C[C@H](NC)c2ccccc2Br)s1 ZINC000060700047 184154542 /nfs/dbraw/zinc/15/45/42/184154542.db2.gz WVVNJQBOYCMHOX-HNNXBMFYSA-N 0 3 324.287 4.576 10 0 DJAEHN C[C@H](NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000274857646 130267247 /nfs/dbraw/zinc/26/72/47/130267247.db2.gz CJBAAPSOPOZRKP-BMQDGWLCSA-N 0 3 306.759 4.507 10 0 DJAEHN CC[C@H](N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000036921388 331525704 /nfs/dbraw/zinc/52/57/04/331525704.db2.gz MSHXIAIZPOPRNJ-IRXDYDNUSA-N 0 3 301.817 4.905 10 0 DJAEHN C[C@@H](N[C@@H](C)COCc1ccccc1)c1csc(Cl)c1 ZINC000390560375 333300821 /nfs/dbraw/zinc/30/08/21/333300821.db2.gz LJORNTWMNYFEET-QWHCGFSZSA-N 0 3 309.862 4.657 10 0 DJAEHN Clc1ccc([C@@H](N[C@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003062 336286921 /nfs/dbraw/zinc/28/69/21/336286921.db2.gz JROKMSPZJGPCII-HKUYNNGSSA-N 0 3 313.828 4.905 10 0 DJAEHN C[C@H](NCc1cc(F)cc2cccnc21)c1ccc(Cl)s1 ZINC000193111025 337308362 /nfs/dbraw/zinc/30/83/62/337308362.db2.gz IFDSHIWMLCJPOH-JTQLQIEISA-N 0 3 320.820 4.940 10 0 DJAEHN O=C(CNC1CCCCC1)Nc1ccc(C2CCCCC2)cc1 ZINC000584590839 337373382 /nfs/dbraw/zinc/37/33/82/337373382.db2.gz ZILHBKOCWOXXPJ-UHFFFAOYSA-N 0 3 314.473 4.595 10 0 DJAEHN C[C@@H](NC1CCC(C(F)(F)F)CC1)c1cc(F)ccc1F ZINC000037092573 340749041 /nfs/dbraw/zinc/74/90/41/340749041.db2.gz NNYISNUOFCIVPJ-GRZMOONWSA-N 0 3 307.306 4.737 10 0 DJAEHN Clc1ccc(CCNCc2cccc(Cl)c2Cl)cc1 ZINC000013721283 563663104 /nfs/dbraw/zinc/66/31/04/563663104.db2.gz KTNLNQXMNZCCSD-UHFFFAOYSA-N 0 3 314.643 4.979 10 0 DJAEHN CN(C)CCO[C@@H](c1ccccc1)c1ccccc1C(C)(C)C ZINC000005439905 181243423 /nfs/dbraw/zinc/24/34/23/181243423.db2.gz OGNRRAFRDFGFKA-FQEVSTJZSA-N 0 3 311.469 4.652 10 0 in-man DJAEHN CC(C)c1ccc([C@H](N)c2ccc(Br)cc2)cc1 ZINC000019804142 182151668 /nfs/dbraw/zinc/15/16/68/182151668.db2.gz HYDISAMGPAWYOU-INIZCTEOSA-N 0 3 304.231 4.621 10 0 DJAEHN Cc1ccc(CN[C@@H](C)c2cccc(Br)c2)cc1 ZINC000019962398 182170552 /nfs/dbraw/zinc/17/05/52/182170552.db2.gz BWUDDVNZYZELRP-ZDUSSCGKSA-N 0 3 304.231 4.608 10 0 DJAEHN Cc1cc(C)c([C@H](N)c2ccc(F)cc2Br)c(C)c1 ZINC000019968641 182171385 /nfs/dbraw/zinc/17/13/85/182171385.db2.gz XPMDNNADIXLYSI-MRXNPFEDSA-N 0 3 322.221 4.562 10 0 DJAEHN C[C@@H](N)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl ZINC000020015135 182178460 /nfs/dbraw/zinc/17/84/60/182178460.db2.gz CEAWNNMOCITYQN-MRVPVSSYSA-N 0 3 300.160 4.945 10 0 DJAEHN C[C@@H](NCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020124150 182190213 /nfs/dbraw/zinc/19/02/13/182190213.db2.gz JXWZCALFIYFRDL-LLVKDONJSA-N 0 3 324.649 4.953 10 0 DJAEHN CC[C@@H](NCc1cccc(C)c1)c1ccc(Br)cc1 ZINC000020134206 182190565 /nfs/dbraw/zinc/19/05/65/182190565.db2.gz DDGQUIIVXRAKQZ-QGZVFWFLSA-N 0 3 318.258 4.998 10 0 DJAEHN NCc1sc(-c2cccc(Cl)c2)nc1-c1ccccc1 ZINC000020184381 182194903 /nfs/dbraw/zinc/19/49/03/182194903.db2.gz OKGZUMDPCDJKLD-UHFFFAOYSA-N 0 3 300.814 4.589 10 0 DJAEHN NCc1c(Cl)cccc1Oc1ccc(Cl)cc1Cl ZINC000020470297 182221558 /nfs/dbraw/zinc/22/15/58/182221558.db2.gz CDUFLVZWPUXNPO-UHFFFAOYSA-N 0 3 302.588 4.898 10 0 DJAEHN CCCC[C@@H](CC)[C@H](N)c1cc(Br)ccc1OC ZINC000020586535 182235511 /nfs/dbraw/zinc/23/55/11/182235511.db2.gz VZYBMPKPAWDIGO-ABAIWWIYSA-N 0 3 314.267 4.674 10 0 DJAEHN CCCOc1ccc(CNCc2ccc(C)cc2)cc1Cl ZINC000020925640 182254458 /nfs/dbraw/zinc/25/44/58/182254458.db2.gz ZEZHUKFCVUDJDJ-UHFFFAOYSA-N 0 3 303.833 4.727 10 0 DJAEHN CCCNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875124 182251715 /nfs/dbraw/zinc/25/17/15/182251715.db2.gz IOCZACXWJDYQMO-UHFFFAOYSA-N 0 3 303.833 4.727 10 0 DJAEHN CCCNCc1ccccc1OCc1c(F)cccc1Cl ZINC000032209205 182637804 /nfs/dbraw/zinc/63/78/04/182637804.db2.gz MTSIQRNGENJMJK-UHFFFAOYSA-N 0 3 307.796 4.558 10 0 DJAEHN CCC[C@H](N)c1ccc(-c2ccccc2Br)s1 ZINC000036927947 182853119 /nfs/dbraw/zinc/85/31/19/182853119.db2.gz XAIRSGPIHMBDTB-LBPRGKRZSA-N 0 3 310.260 4.978 10 0 DJAEHN C[C@@H](NCCc1ccsc1)c1ccc(Cl)cc1Cl ZINC000042599126 183289514 /nfs/dbraw/zinc/28/95/14/183289514.db2.gz UJKPPLHCUZZUOY-SNVBAGLBSA-N 0 3 300.254 4.948 10 0 DJAEHN CCN[C@H](c1sccc1C)c1ccc(Br)cc1C ZINC000042729636 183302730 /nfs/dbraw/zinc/30/27/30/183302730.db2.gz HGMINAVOUIQWFV-AWEZNQCLSA-N 0 3 324.287 4.826 10 0 DJAEHN CC[C@H](NC[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815127 183312096 /nfs/dbraw/zinc/31/20/96/183312096.db2.gz MHYHOPMDXCXDFL-DOMZBBRYSA-N 0 3 302.245 4.603 10 0 DJAEHN N[C@H](c1ccc(F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000062792163 184253050 /nfs/dbraw/zinc/25/30/50/184253050.db2.gz PISGOAWZVDTOHB-CYBMUJFWSA-N 0 3 304.579 4.834 10 0 DJAEHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000042790517 132152546 /nfs/dbraw/zinc/15/25/46/132152546.db2.gz MQWJXMBQEBMNPA-OAHLLOKOSA-N 0 3 324.468 4.793 10 0 DJAEHN C[C@H](COCc1ccccc1)NCc1ccc2ccccc2c1 ZINC000390519167 333289289 /nfs/dbraw/zinc/28/92/89/333289289.db2.gz FHZGSKWQCRNQSK-QGZVFWFLSA-N 0 3 305.421 4.535 10 0 DJAEHN COc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020555113 333323081 /nfs/dbraw/zinc/32/30/81/333323081.db2.gz VKJWONBOZAIKFL-LLVKDONJSA-N 0 3 310.224 4.853 10 0 DJAEHN CC[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490961 333353780 /nfs/dbraw/zinc/35/37/80/333353780.db2.gz GUDDPJICMOPVCA-JSGCOSHPSA-N 0 3 305.443 4.567 10 0 DJAEHN CC[C@@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490962 333353799 /nfs/dbraw/zinc/35/37/99/333353799.db2.gz GUDDPJICMOPVCA-GXTWGEPZSA-N 0 3 305.443 4.567 10 0 DJAEHN Cc1ccc([C@H](C)NCc2cccc(Br)c2)cc1C ZINC000048817857 334301359 /nfs/dbraw/zinc/30/13/59/334301359.db2.gz NEMCKDKUCAFSCG-AWEZNQCLSA-N 0 3 318.258 4.917 10 0 DJAEHN CC[C@H](N[C@@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529133 334345337 /nfs/dbraw/zinc/34/53/37/334345337.db2.gz ULXARDMMIACQRO-DLBZAZTESA-N 0 3 301.455 4.875 10 0 DJAEHN Cc1ccc(CN[C@H](C)c2ccc(OCC(C)C)cc2)s1 ZINC000050225215 334376528 /nfs/dbraw/zinc/37/65/28/334376528.db2.gz OXHSAPHWGNKFIU-OAHLLOKOSA-N 0 3 303.471 4.942 10 0 DJAEHN CC(C)Oc1ccc([C@@H](C)N[C@H]2CCOc3ccccc32)cc1 ZINC000192706629 336259051 /nfs/dbraw/zinc/25/90/51/336259051.db2.gz WYUDDOCYQAILJX-BEFAXECRSA-N 0 3 311.425 4.648 10 0 DJAEHN Cc1cccc2c(NC[C@H]3CCO[C@H]3c3ccccc3)ccnc12 ZINC000301663688 336321795 /nfs/dbraw/zinc/32/17/95/336321795.db2.gz KOIISZJYRAAXDX-UTKZUKDTSA-N 0 3 318.420 4.733 10 0 DJAEHN Cc1cccc2c(NC3CCN(c4cccs4)CC3)ccnc12 ZINC000301688164 336323556 /nfs/dbraw/zinc/32/35/56/336323556.db2.gz VJRJUOJESGRNDD-UHFFFAOYSA-N 0 3 323.465 4.686 10 0 DJAEHN COc1ccc([C@@H](C)NCc2ccc(C)c(Cl)c2)cc1OC ZINC000193734006 337079246 /nfs/dbraw/zinc/07/92/46/337079246.db2.gz KGYCFTWVCGPYGT-CYBMUJFWSA-N 0 3 319.832 4.516 10 0 DJAEHN CN(C)Cc1cccc(Sc2cc(Cl)nc(Cl)c2)c1 ZINC000584595205 337373969 /nfs/dbraw/zinc/37/39/69/337373969.db2.gz PQWUYOGDUBEOOO-UHFFFAOYSA-N 0 3 313.253 4.601 10 0 DJAEHN Cc1ccc([C@H](C)NCc2cnc(C(C)(C)C)s2)c(C)c1 ZINC000059181040 337888904 /nfs/dbraw/zinc/88/89/04/337888904.db2.gz DWAJBRYZRXSXSC-AWEZNQCLSA-N 0 3 302.487 4.908 10 0 DJAEHN Cc1cncc([C@@H](C)N[C@H](C)c2cccc(Br)c2)c1 ZINC000184266329 340491586 /nfs/dbraw/zinc/49/15/86/340491586.db2.gz FBZGXHCAYHNLQE-CHWSQXEVSA-N 0 3 319.246 4.564 10 0 DJAEHN Cc1cncc([C@@H](C)N[C@H](C)c2ccc(OCC(C)C)cc2)c1 ZINC000184388637 340492619 /nfs/dbraw/zinc/49/26/19/340492619.db2.gz NLYDPKHPOMGFKH-IAGOWNOFSA-N 0 3 312.457 4.837 10 0 DJAEHN COc1ccc2c(c1)[C@@H](N[C@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000124180820 340797666 /nfs/dbraw/zinc/79/76/66/340797666.db2.gz DOWACRSKHREWFQ-OALUTQOASA-N 0 3 323.436 4.575 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC000182224280 519733817 /nfs/dbraw/zinc/73/38/17/519733817.db2.gz IOYITQMUHSGLBW-LRAJWGHMSA-N 0 3 322.452 4.538 10 0 DJAEHN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccs1)CCS2 ZINC000191486805 525592456 /nfs/dbraw/zinc/59/24/56/525592456.db2.gz VBANGDRARJOLIP-BXUZGUMPSA-N 0 3 305.468 4.644 10 0 DJAEHN CC(C)NCc1ccccc1OCc1ccc(F)cc1Cl ZINC000037702679 563416002 /nfs/dbraw/zinc/41/60/02/563416002.db2.gz ARJQOIJADRDHAG-UHFFFAOYSA-N 0 3 307.796 4.556 10 0 DJAEHN CCCc1nc(-c2ccc(Cl)cc2)sc1CNC1CC1 ZINC000082427081 185181049 /nfs/dbraw/zinc/18/10/49/185181049.db2.gz BVXHZDYZRGTIRZ-UHFFFAOYSA-N 0 3 306.862 4.668 10 0 DJAEHN Nc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c1 ZINC000005331998 181230447 /nfs/dbraw/zinc/23/04/47/181230447.db2.gz DFVZMWMOHWPXCT-OAQYLSRUSA-N 0 3 313.404 4.625 10 0 DJAEHN N[C@H](c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000019508851 182126470 /nfs/dbraw/zinc/12/64/70/182126470.db2.gz RXEHNRHAGDIBJX-QGZVFWFLSA-N 0 3 312.210 4.650 10 0 DJAEHN CC(C)(C)c1ccc(O[C@H](CN)c2cccc(Cl)c2)cc1 ZINC000019671256 182135030 /nfs/dbraw/zinc/13/50/30/182135030.db2.gz KRXWNBJKWMBYGX-QGZVFWFLSA-N 0 3 303.833 4.716 10 0 DJAEHN Cc1ccc(CN[C@H](C)c2cccc(Br)c2)cc1 ZINC000019962396 182170509 /nfs/dbraw/zinc/17/05/09/182170509.db2.gz BWUDDVNZYZELRP-CYBMUJFWSA-N 0 3 304.231 4.608 10 0 DJAEHN Cc1cc(C)c([C@H](N)c2cc(Br)ccc2F)c(C)c1 ZINC000019968709 182171778 /nfs/dbraw/zinc/17/17/78/182171778.db2.gz KVYLTRYZVNXHIB-MRXNPFEDSA-N 0 3 322.221 4.562 10 0 DJAEHN Cc1cc(C)c([C@@H](N)c2ccc(Br)cc2F)c(C)c1 ZINC000019968712 182171791 /nfs/dbraw/zinc/17/17/91/182171791.db2.gz PFVPWPWTRGQIJD-INIZCTEOSA-N 0 3 322.221 4.562 10 0 DJAEHN C[C@@H](N)c1c(F)cccc1Oc1cc(Cl)ccc1Cl ZINC000019995628 182175279 /nfs/dbraw/zinc/17/52/79/182175279.db2.gz MZZFOCVATNPPTE-MRVPVSSYSA-N 0 3 300.160 4.945 10 0 DJAEHN COc1c(Br)cc(Cl)cc1[C@H](N)CCC(C)C ZINC000020252192 182200046 /nfs/dbraw/zinc/20/00/46/182200046.db2.gz YCQNEEHNSHUTGG-GFCCVEGCSA-N 0 3 320.658 4.547 10 0 DJAEHN CCCC[C@H](CC)[C@@H](N)c1cc(Br)ccc1OC ZINC000020586532 182236037 /nfs/dbraw/zinc/23/60/37/182236037.db2.gz VZYBMPKPAWDIGO-XHDPSFHLSA-N 0 3 314.267 4.674 10 0 DJAEHN Cc1ccc(COc2cccc(CNCc3ccccc3)c2)cc1 ZINC000020874414 182250892 /nfs/dbraw/zinc/25/08/92/182250892.db2.gz YOYZGMWUJPIPCN-UHFFFAOYSA-N 0 3 317.432 4.864 10 0 DJAEHN CCCNCc1ccccc1OCc1ccc(F)cc1Cl ZINC000040731995 183126541 /nfs/dbraw/zinc/12/65/41/183126541.db2.gz SDOXAPIAUZZOLB-UHFFFAOYSA-N 0 3 307.796 4.558 10 0 DJAEHN CC[C@@H](NC[C@@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815122 183312184 /nfs/dbraw/zinc/31/21/84/183312184.db2.gz MHYHOPMDXCXDFL-SWLSCSKDSA-N 0 3 302.245 4.603 10 0 DJAEHN CC[C@@H](NC[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816099 183312356 /nfs/dbraw/zinc/31/23/56/183312356.db2.gz NEGBEWJCNBQKPR-IUODEOHRSA-N 0 3 302.245 4.603 10 0 DJAEHN CN[C@@H](c1ccc(Br)s1)C1=CCCCCC1 ZINC000050328346 183782358 /nfs/dbraw/zinc/78/23/58/183782358.db2.gz NKCTVFWDCYNDQA-CYBMUJFWSA-N 0 3 300.265 4.662 10 0 DJAEHN N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000050518297 183788532 /nfs/dbraw/zinc/78/85/32/183788532.db2.gz GZZFNTHUYYPRQA-JTQLQIEISA-N 0 3 305.752 4.663 10 0 DJAEHN CCN[C@@H](C)c1ccc(-c2ccc(F)cc2Br)o1 ZINC000052924403 183879906 /nfs/dbraw/zinc/87/99/06/183879906.db2.gz HGHYKYZHADCURI-VIFPVBQESA-N 0 3 312.182 4.519 10 0 DJAEHN CC[C@@H](NCCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000063099396 184270738 /nfs/dbraw/zinc/27/07/38/184270738.db2.gz GPRMXAGMTRCYLB-LLVKDONJSA-N 0 3 300.151 4.987 10 0 DJAEHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000042790513 132153143 /nfs/dbraw/zinc/15/31/43/132153143.db2.gz MQWJXMBQEBMNPA-HNNXBMFYSA-N 0 3 324.468 4.793 10 0 DJAEHN Cc1noc(C)c1CCN[C@@H](c1ccccc1)c1ccccc1C ZINC000180499887 331570931 /nfs/dbraw/zinc/57/09/31/331570931.db2.gz MPUWQLHDAZZZTB-NRFANRHFSA-N 0 3 320.436 4.522 10 0 DJAEHN C[C@@H](N[C@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226628 333341644 /nfs/dbraw/zinc/34/16/44/333341644.db2.gz BEJGSIHNPIZXDV-YGRLFVJLSA-N 0 3 322.271 4.849 10 0 DJAEHN CC[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842787 333379607 /nfs/dbraw/zinc/37/96/07/333379607.db2.gz YQGCPCNBUHQTRZ-GUYCJALGSA-N 0 3 317.404 4.645 10 0 DJAEHN CC[C@@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842804 333379667 /nfs/dbraw/zinc/37/96/67/333379667.db2.gz YQGCPCNBUHQTRZ-SUMWQHHRSA-N 0 3 317.404 4.645 10 0 DJAEHN Cc1ccc([C@@H](C)NCc2cccc(Br)c2)cc1C ZINC000048817854 334301339 /nfs/dbraw/zinc/30/13/39/334301339.db2.gz NEMCKDKUCAFSCG-CQSZACIVSA-N 0 3 318.258 4.917 10 0 DJAEHN CC(C)Cc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)cc1 ZINC000156997505 334643351 /nfs/dbraw/zinc/64/33/51/334643351.db2.gz PKVOOQNLZXGYNX-HUUCEWRRSA-N 0 3 300.421 4.831 10 0 DJAEHN Cc1ccc([C@H](C)NCc2ccc(Br)cc2)c(C)c1 ZINC000037499046 336264443 /nfs/dbraw/zinc/26/44/43/336264443.db2.gz IDPNUEMLXWXCTM-AWEZNQCLSA-N 0 3 318.258 4.917 10 0 DJAEHN CC(C)COc1ccc([C@H](C)N[C@@H](C)c2cccc(O)c2)cc1 ZINC000192845210 336267382 /nfs/dbraw/zinc/26/73/82/336267382.db2.gz IWAQBKIJJNAWSN-HOTGVXAUSA-N 0 3 313.441 4.839 10 0 DJAEHN Cc1cccc2c(NC[C@@H]3CCO[C@H]3c3ccccc3)ccnc12 ZINC000301663689 336321699 /nfs/dbraw/zinc/32/16/99/336321699.db2.gz KOIISZJYRAAXDX-UWJYYQICSA-N 0 3 318.420 4.733 10 0 DJAEHN COc1ccsc1[C@@H](C)N[C@@H]1CCCc2cc(F)ccc21 ZINC000186236657 340509734 /nfs/dbraw/zinc/50/97/34/340509734.db2.gz WKHPPHWZFACGMV-IAQYHMDHSA-N 0 3 305.418 4.624 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000181912228 519734026 /nfs/dbraw/zinc/73/40/26/519734026.db2.gz YHVWLKKSPYNWLQ-STQMWFEESA-N 0 3 316.832 4.710 10 0 DJAEHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccs1)CCS2 ZINC000191486831 525578358 /nfs/dbraw/zinc/57/83/58/525578358.db2.gz VBANGDRARJOLIP-RISCZKNCSA-N 0 3 305.468 4.644 10 0 DJAEHN Cc1ccccc1COc1ccc(Cl)cc1CNC(C)C ZINC000034815524 563246612 /nfs/dbraw/zinc/24/66/12/563246612.db2.gz XYMOGTMLFZTJII-UHFFFAOYSA-N 0 3 303.833 4.725 10 0 DJAEHN CC1CCC(CCNCc2ccccc2Br)CC1 ZINC000070538596 563451403 /nfs/dbraw/zinc/45/14/03/563451403.db2.gz WIHIITHCZUTGIT-UHFFFAOYSA-N 0 3 310.279 4.755 10 0 DJAEHN CCC1(C)CCN(Cc2cccc(C)c2Br)CC1 ZINC000725262821 563569692 /nfs/dbraw/zinc/56/96/92/563569692.db2.gz VXQMFLJFEUEXOD-UHFFFAOYSA-N 0 3 310.279 4.770 10 0 DJAEHN CCNCc1sc(Cc2ccc(Cl)cc2)nc1C(C)C ZINC000082429597 185181245 /nfs/dbraw/zinc/18/12/45/185181245.db2.gz KUJRXOQAQVQOOD-UHFFFAOYSA-N 0 3 308.878 4.620 10 0 DJAEHN CCNCc1sc(Cc2cccc(Cl)c2)nc1C(C)C ZINC000082429762 185181577 /nfs/dbraw/zinc/18/15/77/185181577.db2.gz OUDBFLPSNRSHRD-UHFFFAOYSA-N 0 3 308.878 4.620 10 0 DJAEHN N[C@H](c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000019470118 182124410 /nfs/dbraw/zinc/12/44/10/182124410.db2.gz UOZQBALSVDQAQU-QGZVFWFLSA-N 0 3 312.210 4.650 10 0 DJAEHN CC(C)(C)c1ccc(O[C@@H](CN)c2ccc(Cl)cc2)cc1 ZINC000019671039 182135199 /nfs/dbraw/zinc/13/51/99/182135199.db2.gz JJTQTMBATIDPCW-KRWDZBQOSA-N 0 3 303.833 4.716 10 0 DJAEHN C[C@@H](NCc1ccc(SC(F)(F)F)cc1)c1ccncc1 ZINC000020022851 182179964 /nfs/dbraw/zinc/17/99/64/182179964.db2.gz NSWUNBJRKGLANA-LLVKDONJSA-N 0 3 312.360 4.544 10 0 DJAEHN C[C@H](CCc1ccco1)N[C@H](C)c1ccccc1Br ZINC000020144797 182191707 /nfs/dbraw/zinc/19/17/07/182191707.db2.gz NJKFDSPEEBQBDF-CHWSQXEVSA-N 0 3 322.246 4.714 10 0 DJAEHN COc1ccc([C@@H](N)c2cc(Cl)ccc2Cl)cc1Cl ZINC000020521968 182226435 /nfs/dbraw/zinc/22/64/35/182226435.db2.gz NKXZSHHPSAHUAT-CQSZACIVSA-N 0 3 316.615 4.704 10 0 DJAEHN CCCOc1c(Cl)cc(Cl)cc1CNCCC(C)C ZINC000020930412 182255329 /nfs/dbraw/zinc/25/53/29/182255329.db2.gz XZWJDZNURUAAFJ-UHFFFAOYSA-N 0 3 304.261 4.918 10 0 DJAEHN CCN([C@H](CN)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000021795043 182289512 /nfs/dbraw/zinc/28/95/12/182289512.db2.gz QAOPROLNLHELHJ-OAHLLOKOSA-N 0 3 315.288 4.648 10 0 DJAEHN CC(C)Cc1ccc([C@@H](N)c2ccc(Br)cc2)cc1 ZINC000021815081 182293023 /nfs/dbraw/zinc/29/30/23/182293023.db2.gz QBBYWCKLTKNBAE-QGZVFWFLSA-N 0 3 318.258 4.696 10 0 DJAEHN Clc1ccc(COc2ccccc2CNC2CC2)cc1Cl ZINC000040732442 183126689 /nfs/dbraw/zinc/12/66/89/183126689.db2.gz JCTSGUNQHLQPBG-UHFFFAOYSA-N 0 3 322.235 4.824 10 0 DJAEHN CC(C)NCc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000040997151 183155261 /nfs/dbraw/zinc/15/52/61/183155261.db2.gz JZLORRZDHCYOLQ-UHFFFAOYSA-N 0 3 301.242 4.615 10 0 DJAEHN C[C@@H](NCCc1ccsc1)c1cc(Cl)ccc1Cl ZINC000042599118 183289498 /nfs/dbraw/zinc/28/94/98/183289498.db2.gz OSAULJCSOQSAPF-SNVBAGLBSA-N 0 3 300.254 4.948 10 0 DJAEHN NC[C@H](Oc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000043018752 183329115 /nfs/dbraw/zinc/32/91/15/183329115.db2.gz RKFCDAVZHXMFMX-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@H](Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1 ZINC000043018203 183329138 /nfs/dbraw/zinc/32/91/38/183329138.db2.gz YUCFGVUMOGBJKM-ZDUSSCGKSA-N 0 3 316.615 4.726 10 0 DJAEHN CCCOc1cccc([C@@H](N)c2cc(Cl)sc2Cl)c1 ZINC000061667585 184181647 /nfs/dbraw/zinc/18/16/47/184181647.db2.gz NJJPTBNYZLBROJ-CYBMUJFWSA-N 0 3 316.253 4.892 10 0 DJAEHN NC1(c2nc(-c3cc(F)c(Cl)cc3Cl)cs2)CCC1 ZINC000061713585 184184743 /nfs/dbraw/zinc/18/47/43/184184743.db2.gz JFNNLXROGKGSND-UHFFFAOYSA-N 0 3 317.216 4.594 10 0 DJAEHN CCCn1ccc(CN[C@H](C)c2cccc(Br)c2)c1 ZINC000091010259 332058741 /nfs/dbraw/zinc/05/87/41/332058741.db2.gz XKUDZOXGASQHPF-CYBMUJFWSA-N 0 3 321.262 4.511 10 0 DJAEHN CC[C@@H](N[C@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529136 334345270 /nfs/dbraw/zinc/34/52/70/334345270.db2.gz ULXARDMMIACQRO-SJORKVTESA-N 0 3 301.455 4.875 10 0 DJAEHN CCC(CC)CN(CC)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726492 334351034 /nfs/dbraw/zinc/35/10/34/334351034.db2.gz YKUYXIFADHTHHT-CQSZACIVSA-N 0 3 301.434 4.556 10 0 DJAEHN CCCOc1ccc([C@H](C)N[C@H]2CCOc3ccccc32)cc1 ZINC000192794834 336262130 /nfs/dbraw/zinc/26/21/30/336262130.db2.gz SKXHMLAIWPFXPU-KXBFYZLASA-N 0 3 311.425 4.650 10 0 DJAEHN Clc1ccc([C@H](N[C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003028 336286950 /nfs/dbraw/zinc/28/69/50/336286950.db2.gz JROKMSPZJGPCII-IEBWSBKVSA-N 0 3 313.828 4.905 10 0 DJAEHN CCC[C@H](N[C@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272123 337161882 /nfs/dbraw/zinc/16/18/82/337161882.db2.gz VHVAAJLNTOQOKI-OALUTQOASA-N 0 3 311.425 4.650 10 0 DJAEHN Cc1cncc([C@@H](C)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000184267150 340491725 /nfs/dbraw/zinc/49/17/25/340491725.db2.gz QZBFBUSCQWMGNL-CHWSQXEVSA-N 0 3 324.346 4.700 10 0 DJAEHN Cc1c([C@H](C)N[C@H]2c3cc(C)ccc3C[C@H]2C)cnn1C(C)C ZINC000191490525 340554633 /nfs/dbraw/zinc/55/46/33/340554633.db2.gz QBZSZEVCXKPPEZ-QEEYODRMSA-N 0 3 311.473 4.665 10 0 DJAEHN CC1(C)C[C@H](NCc2cccc3[nH]ccc32)c2ccccc2O1 ZINC000153072254 341523473 /nfs/dbraw/zinc/52/34/73/341523473.db2.gz AGXCEPYOTBCDNH-SFHVURJKSA-N 0 3 306.409 4.560 10 0 DJAEHN CC(=O)c1c(C)cc(C)c(CN[C@@H](C)c2cccs2)c1C ZINC000181153482 518232081 /nfs/dbraw/zinc/23/20/81/518232081.db2.gz YAMGTOLUZTUKSI-AWEZNQCLSA-N 0 3 301.455 4.727 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC000182224299 519733862 /nfs/dbraw/zinc/73/38/62/519733862.db2.gz IOYITQMUHSGLBW-WIEQDCTASA-N 0 3 322.452 4.538 10 0 DJAEHN CCOc1c(Cl)cc(CNCc2ccc(C)cc2)cc1Cl ZINC000010475389 563357303 /nfs/dbraw/zinc/35/73/03/563357303.db2.gz HLPRGNFGKLBZDW-UHFFFAOYSA-N 0 3 324.251 4.990 10 0 DJAEHN CCOc1ccc(-c2cncc(CN3CCCC[C@H]3C)c2)cc1 ZINC000037554221 563918741 /nfs/dbraw/zinc/91/87/41/563918741.db2.gz ABGVOULXCPSINF-MRXNPFEDSA-N 0 3 310.441 4.522 10 0 DJAEHN CNCc1sc(CSc2ccc(C)cc2)nc1C(C)C ZINC000082430136 185181450 /nfs/dbraw/zinc/18/14/50/185181450.db2.gz KVUKSHSNKCNTIJ-UHFFFAOYSA-N 0 3 306.500 4.587 10 0 DJAEHN Clc1ccc(-c2nc(C3CC3)c(CNC3CC3)s2)cc1 ZINC000082435535 185182119 /nfs/dbraw/zinc/18/21/19/185182119.db2.gz KTIPPMYGABIHKK-UHFFFAOYSA-N 0 3 304.846 4.593 10 0 DJAEHN CN(C)CCSc1nc2ccccc2cc1-c1ccccc1 ZINC000005140456 181208930 /nfs/dbraw/zinc/20/89/30/181208930.db2.gz HYOLQGVNMQNERE-UHFFFAOYSA-N 0 3 308.450 4.556 10 0 in-vitro DJAEHN Cc1cc(O[C@@H](CN)c2ccc(Cl)cc2)cc(C)c1Cl ZINC000019671166 182135439 /nfs/dbraw/zinc/13/54/39/182135439.db2.gz QIWMYBADZLLAGC-HNNXBMFYSA-N 0 3 310.224 4.689 10 0 DJAEHN C[C@@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000020124154 182190322 /nfs/dbraw/zinc/19/03/22/182190322.db2.gz VYHUIUPRKFYQKX-LLVKDONJSA-N 0 3 324.649 4.953 10 0 DJAEHN CC[C@H](NCc1cccc(C)c1)c1ccc(Br)cc1 ZINC000020134209 182190601 /nfs/dbraw/zinc/19/06/01/182190601.db2.gz DDGQUIIVXRAKQZ-KRWDZBQOSA-N 0 3 318.258 4.998 10 0 DJAEHN CCC[C@H](C)[C@@H](N)c1cc(Cl)cc(Br)c1OC ZINC000020252194 182200081 /nfs/dbraw/zinc/20/00/81/182200081.db2.gz IBWUEEPOVJDNAN-QPUJVOFHSA-N 0 3 320.658 4.547 10 0 DJAEHN N[C@H](c1csc2ccccc21)c1ccc(Br)cc1 ZINC000020596369 182236119 /nfs/dbraw/zinc/23/61/19/182236119.db2.gz MZHWTPMOIZFCRP-HNNXBMFYSA-N 0 3 318.239 4.712 10 0 DJAEHN N[C@@H](c1csc2ccccc21)c1ccc(Br)cc1 ZINC000020596370 182236569 /nfs/dbraw/zinc/23/65/69/182236569.db2.gz MZHWTPMOIZFCRP-OAHLLOKOSA-N 0 3 318.239 4.712 10 0 DJAEHN CCCOc1ccc2ccccc2c1CNCc1cccs1 ZINC000020930579 182255453 /nfs/dbraw/zinc/25/54/53/182255453.db2.gz NTFYIPODIKMKPR-UHFFFAOYSA-N 0 3 311.450 4.980 10 0 DJAEHN C[C@@H](CN[C@H](C)c1ccccc1Br)c1ccccc1 ZINC000021013855 182260904 /nfs/dbraw/zinc/26/09/04/182260904.db2.gz JKZNXWDWXQUGCM-UONOGXRCSA-N 0 3 318.258 4.903 10 0 DJAEHN CCN([C@@H](CN)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021025024 182261325 /nfs/dbraw/zinc/26/13/25/182261325.db2.gz RRQBYPSPPCAPNM-HNNXBMFYSA-N 0 3 315.288 4.648 10 0 DJAEHN CCCc1ccc([C@@H](N)c2ccc(Br)cc2F)cc1 ZINC000021501175 182275359 /nfs/dbraw/zinc/27/53/59/182275359.db2.gz LIEUSMLCKLHTSQ-MRXNPFEDSA-N 0 3 322.221 4.589 10 0 DJAEHN CCN([C@@H](CN)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000021795040 182289576 /nfs/dbraw/zinc/28/95/76/182289576.db2.gz QAOPROLNLHELHJ-HNNXBMFYSA-N 0 3 315.288 4.648 10 0 DJAEHN Clc1cccc(Cl)c1COc1cccc(CNC2CC2)c1 ZINC000040738459 183127464 /nfs/dbraw/zinc/12/74/64/183127464.db2.gz HWDMDAWIJUHKPY-UHFFFAOYSA-N 0 3 322.235 4.824 10 0 DJAEHN C[C@@H](N)c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000041566997 183204014 /nfs/dbraw/zinc/20/40/14/183204014.db2.gz WSFSHMBQADGDRG-SECBINFHSA-N 0 3 314.187 4.731 10 0 DJAEHN NC[C@@H](Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000042948350 183320375 /nfs/dbraw/zinc/32/03/75/183320375.db2.gz SWRMXQUOSHVWLL-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000043017545 183329132 /nfs/dbraw/zinc/32/91/32/183329132.db2.gz IDDYBXLHTIGQKP-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000043053603 183332666 /nfs/dbraw/zinc/33/26/66/183332666.db2.gz CWJCYKVRXSKXRK-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN C[C@H](COCc1ccccc1)NCc1csc2ccccc12 ZINC000390539842 333293195 /nfs/dbraw/zinc/29/31/95/333293195.db2.gz QOOKBAFSEMORPY-OAHLLOKOSA-N 0 3 311.450 4.596 10 0 DJAEHN CC[C@@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842844 333379930 /nfs/dbraw/zinc/37/99/30/333379930.db2.gz YQGCPCNBUHQTRZ-CXAGYDPISA-N 0 3 317.404 4.645 10 0 DJAEHN Cc1cccc2c(N3C[C@@H](C)O[C@H](c4ccsc4)C3)ccnc12 ZINC000301721589 336325520 /nfs/dbraw/zinc/32/55/20/336325520.db2.gz QRCKSZHBYXPOFA-KDOFPFPSSA-N 0 3 324.449 4.571 10 0 DJAEHN Cc1cccc2c(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)ccnc12 ZINC000301721590 336325587 /nfs/dbraw/zinc/32/55/87/336325587.db2.gz QRCKSZHBYXPOFA-KSSFIOAISA-N 0 3 324.449 4.571 10 0 DJAEHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900370 337079956 /nfs/dbraw/zinc/07/99/56/337079956.db2.gz IEKPWANAGOYVJL-HZPDHXFCSA-N 0 3 313.441 4.732 10 0 DJAEHN C[C@H](N[C@@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000246967081 337556507 /nfs/dbraw/zinc/55/65/07/337556507.db2.gz JDDOBMUAWOCADQ-RVSPLBMKSA-N 0 3 321.873 4.506 10 0 DJAEHN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cncc(F)c1 ZINC000164663565 339024545 /nfs/dbraw/zinc/02/45/45/339024545.db2.gz ZKFQMJXWXSGELK-UONOGXRCSA-N 0 3 300.421 4.930 10 0 DJAEHN C[C@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454212 339239512 /nfs/dbraw/zinc/23/95/12/339239512.db2.gz IDMJWVAODWSRDZ-VLEAKVRGSA-N 0 3 322.301 4.909 10 0 DJAEHN C[C@@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454209 339239635 /nfs/dbraw/zinc/23/96/35/339239635.db2.gz IDMJWVAODWSRDZ-LMLFDSFASA-N 0 3 322.301 4.909 10 0 DJAEHN COc1ccc2c(c1)[C@H](N[C@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000124180282 340797564 /nfs/dbraw/zinc/79/75/64/340797564.db2.gz DOWACRSKHREWFQ-MOPGFXCFSA-N 0 3 323.436 4.575 10 0 DJAEHN COc1cccc([C@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000128961316 340931960 /nfs/dbraw/zinc/93/19/60/340931960.db2.gz LQXUHTANSYZUKA-KBXCAEBGSA-N 0 3 311.425 4.648 10 0 DJAEHN CC[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163794166 522921605 /nfs/dbraw/zinc/92/16/05/522921605.db2.gz HJKYEHWSIQDYSL-RTBURBONSA-N 0 3 322.452 4.959 10 0 DJAEHN CC(C)OCCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000013721963 563387511 /nfs/dbraw/zinc/38/75/11/563387511.db2.gz NZJZGYBLJKOJGO-UHFFFAOYSA-N 0 3 307.821 4.505 10 0 DJAEHN CCCN[C@@H](C)c1csc(-c2cccc(OCCC)c2)n1 ZINC000076784392 185040421 /nfs/dbraw/zinc/04/04/21/185040421.db2.gz HJKQZJVFPCUTQP-ZDUSSCGKSA-N 0 3 304.459 4.660 10 0 DJAEHN CC(C)c1nc(-c2ccccc2Cl)sc1CNC1CC1 ZINC000082429673 185181233 /nfs/dbraw/zinc/18/12/33/185181233.db2.gz WBMPYGOIKSTEOB-UHFFFAOYSA-N 0 3 306.862 4.839 10 0 DJAEHN CCc1ccc(-c2nc(C(C)C)c(CNC3CC3)s2)cc1 ZINC000082431291 185182054 /nfs/dbraw/zinc/18/20/54/185182054.db2.gz LDSNGBADLRMGER-UHFFFAOYSA-N 0 3 300.471 4.748 10 0 DJAEHN Cc1cc(C)c(C)c([C@@H](N)c2ccc(Br)cc2)c1C ZINC000019232260 182110154 /nfs/dbraw/zinc/11/01/54/182110154.db2.gz QIPMLALLLYSKPF-KRWDZBQOSA-N 0 3 318.258 4.731 10 0 DJAEHN C[C@H](N)c1c(F)cccc1Oc1ccc(Cl)cc1Cl ZINC000020009395 182176668 /nfs/dbraw/zinc/17/66/68/182176668.db2.gz WYSVLRGYOFHRAG-QMMMGPOBSA-N 0 3 300.160 4.945 10 0 DJAEHN CC[C@H](N[C@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121404 182188849 /nfs/dbraw/zinc/18/88/49/182188849.db2.gz ABICGZUGDNRSFN-WBMJQRKESA-N 0 3 319.246 4.646 10 0 DJAEHN C[C@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000020124155 182189742 /nfs/dbraw/zinc/18/97/42/182189742.db2.gz VYHUIUPRKFYQKX-NSHDSACASA-N 0 3 324.649 4.953 10 0 DJAEHN C[C@H](N[C@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129719 182189936 /nfs/dbraw/zinc/18/99/36/182189936.db2.gz GYVLTUFUBDWOIL-SJCJKPOMSA-N 0 3 316.242 4.787 10 0 DJAEHN C[C@H](CCc1ccco1)N[C@@H](C)c1ccccc1Br ZINC000020144793 182191754 /nfs/dbraw/zinc/19/17/54/182191754.db2.gz NJKFDSPEEBQBDF-OLZOCXBDSA-N 0 3 322.246 4.714 10 0 DJAEHN Cc1ccc(Oc2cccc(F)c2[C@@H](C)N)c(Br)c1 ZINC000020077954 182185271 /nfs/dbraw/zinc/18/52/71/182185271.db2.gz UTRCWXQOZWNODY-SNVBAGLBSA-N 0 3 324.193 4.709 10 0 DJAEHN CCC[C@H](C)[C@H](N)c1cc(Cl)cc(Br)c1OC ZINC000020252198 182200203 /nfs/dbraw/zinc/20/02/03/182200203.db2.gz IBWUEEPOVJDNAN-UFBFGSQYSA-N 0 3 320.658 4.547 10 0 DJAEHN CCCOc1ccc(CN[C@@H](C)c2ccccc2)cc1Cl ZINC000020925432 182254285 /nfs/dbraw/zinc/25/42/85/182254285.db2.gz YGUPEBLZGBAMMP-AWEZNQCLSA-N 0 3 303.833 4.980 10 0 DJAEHN CCN([C@H](CN)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021025031 182261550 /nfs/dbraw/zinc/26/15/50/182261550.db2.gz RRQBYPSPPCAPNM-OAHLLOKOSA-N 0 3 315.288 4.648 10 0 DJAEHN CNCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000035661966 182785011 /nfs/dbraw/zinc/78/50/11/182785011.db2.gz YLUURAJDFDKVJP-UHFFFAOYSA-N 0 3 310.224 4.600 10 0 DJAEHN C[C@H](NCCc1ccsc1)c1ccc(Cl)cc1Cl ZINC000042599122 183289329 /nfs/dbraw/zinc/28/93/29/183289329.db2.gz UJKPPLHCUZZUOY-JTQLQIEISA-N 0 3 300.254 4.948 10 0 DJAEHN NC[C@H](Oc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000042947986 183320702 /nfs/dbraw/zinc/32/07/02/183320702.db2.gz GLTCAYZALKPTMO-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000042949071 183320743 /nfs/dbraw/zinc/32/07/43/183320743.db2.gz RRXLZZDTJQTDDD-CYBMUJFWSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1 ZINC000043018197 183328487 /nfs/dbraw/zinc/32/84/87/183328487.db2.gz YUCFGVUMOGBJKM-CYBMUJFWSA-N 0 3 316.615 4.726 10 0 DJAEHN CC[C@@H](NC[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816089 183312173 /nfs/dbraw/zinc/31/21/73/183312173.db2.gz NEGBEWJCNBQKPR-SWLSCSKDSA-N 0 3 302.245 4.603 10 0 DJAEHN NC[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000043109146 183338031 /nfs/dbraw/zinc/33/80/31/183338031.db2.gz OZRDNTTYSPWMBP-NSHDSACASA-N 0 3 322.644 4.787 10 0 DJAEHN NC[C@H](Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000043087176 183335153 /nfs/dbraw/zinc/33/51/53/183335153.db2.gz HWFIAWIYCCRGJP-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN CC(C)CNCc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000061800859 184187560 /nfs/dbraw/zinc/18/75/60/184187560.db2.gz NTFPNHZGHFMULI-UHFFFAOYSA-N 0 3 315.269 4.863 10 0 DJAEHN CC[C@@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490964 333353728 /nfs/dbraw/zinc/35/37/28/333353728.db2.gz GUDDPJICMOPVCA-TZMCWYRMSA-N 0 3 305.443 4.567 10 0 DJAEHN CC[C@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490963 333353791 /nfs/dbraw/zinc/35/37/91/333353791.db2.gz GUDDPJICMOPVCA-OCCSQVGLSA-N 0 3 305.443 4.567 10 0 DJAEHN CC(C)Oc1ccc([C@H](C)N[C@H]2CCOc3ccccc32)cc1 ZINC000192706640 336259096 /nfs/dbraw/zinc/25/90/96/336259096.db2.gz WYUDDOCYQAILJX-KXBFYZLASA-N 0 3 311.425 4.648 10 0 DJAEHN Cc1cccc2c(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)ccnc12 ZINC000301721591 336325524 /nfs/dbraw/zinc/32/55/24/336325524.db2.gz QRCKSZHBYXPOFA-RDTXWAMCSA-N 0 3 324.449 4.571 10 0 DJAEHN CC[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F ZINC000180671584 337177026 /nfs/dbraw/zinc/17/70/26/337177026.db2.gz LBXVJJPETSNCIO-FOIQADDNSA-N 0 3 323.415 4.813 10 0 DJAEHN Cc1csc([C@H]2CCCN(Cc3ccc(C(F)F)cc3)C2)n1 ZINC000183932935 337195650 /nfs/dbraw/zinc/19/56/50/337195650.db2.gz CXIOVRXYKKLBCI-HNNXBMFYSA-N 0 3 322.424 4.769 10 0 DJAEHN CCc1nc(C)c([C@@H](C)N[C@@H]2CCCc3cc(F)ccc32)s1 ZINC000090964042 337887564 /nfs/dbraw/zinc/88/75/64/337887564.db2.gz FTEUMPRRGWTJIE-BDJLRTHQSA-N 0 3 318.461 4.881 10 0 DJAEHN CCc1nc(C)c([C@@H](C)N[C@H]2CCCc3cc(F)ccc32)s1 ZINC000090964044 337887641 /nfs/dbraw/zinc/88/76/41/337887641.db2.gz FTEUMPRRGWTJIE-BZNIZROVSA-N 0 3 318.461 4.881 10 0 DJAEHN Cc1cc(CN[C@@H](C)c2cccc(Br)c2)cs1 ZINC000379757392 339053531 /nfs/dbraw/zinc/05/35/31/339053531.db2.gz YOLUYBMTFPXXSM-NSHDSACASA-N 0 3 310.260 4.670 10 0 DJAEHN Cc1ccc([C@@H](C)NCc2cccc(Br)c2)c(C)c1 ZINC000037772130 340786765 /nfs/dbraw/zinc/78/67/65/340786765.db2.gz YYJVRZJONNBEBV-CQSZACIVSA-N 0 3 318.258 4.917 10 0 DJAEHN CCc1ncc(CN[C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000037924159 340788462 /nfs/dbraw/zinc/78/84/62/340788462.db2.gz HSNUUQGVFVAMFO-AWEZNQCLSA-N 0 3 302.487 4.755 10 0 DJAEHN CC[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163794394 522944874 /nfs/dbraw/zinc/94/48/74/522944874.db2.gz HJKYEHWSIQDYSL-MOPGFXCFSA-N 0 3 322.452 4.959 10 0 DJAEHN Cc1ccc(-c2ccc(CNCCCOC(C)C)o2)cc1Cl ZINC000013722071 563387600 /nfs/dbraw/zinc/38/76/00/563387600.db2.gz CDXQBCHUGXLYHT-UHFFFAOYSA-N 0 3 321.848 4.813 10 0 DJAEHN CCCNCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000034815420 563246564 /nfs/dbraw/zinc/24/65/64/563246564.db2.gz ZVMFMBBUGHFMPJ-UHFFFAOYSA-N 0 3 303.833 4.727 10 0 DJAEHN CN1Cc2ccccc2C12c1ccccc1CCc1ccccc12 ZINC000006661384 181367309 /nfs/dbraw/zinc/36/73/09/181367309.db2.gz LHTVZDOHGJLKNS-UHFFFAOYSA-N 0 3 311.428 4.523 10 0 DJAEHN CC[C@@H](NCc1ccc(C)cc1)c1ccc(Br)cc1 ZINC000019962581 182170801 /nfs/dbraw/zinc/17/08/01/182170801.db2.gz YZNYWXAJTVBHEK-QGZVFWFLSA-N 0 3 318.258 4.998 10 0 DJAEHN Cc1cc(C)c([C@H](N)c2ccc(Br)cc2F)c(C)c1 ZINC000019968713 182171319 /nfs/dbraw/zinc/17/13/19/182171319.db2.gz PFVPWPWTRGQIJD-MRXNPFEDSA-N 0 3 322.221 4.562 10 0 DJAEHN CCC(CC)[C@@H](N)c1cc(Cl)cc(Br)c1OC ZINC000019967840 182171714 /nfs/dbraw/zinc/17/17/14/182171714.db2.gz DSFDHJNFZMLMPL-GFCCVEGCSA-N 0 3 320.658 4.547 10 0 DJAEHN Cc1ccc(Oc2cccc(F)c2[C@H](C)N)c(Br)c1 ZINC000020077956 182185080 /nfs/dbraw/zinc/18/50/80/182185080.db2.gz UTRCWXQOZWNODY-JTQLQIEISA-N 0 3 324.193 4.709 10 0 DJAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)CCC(C)C ZINC000020252190 182200234 /nfs/dbraw/zinc/20/02/34/182200234.db2.gz YCQNEEHNSHUTGG-LBPRGKRZSA-N 0 3 320.658 4.547 10 0 DJAEHN CC(C)(C)c1ccc([C@H](N)c2ccc(Br)cc2)cc1 ZINC000021033731 182262083 /nfs/dbraw/zinc/26/20/83/182262083.db2.gz WJZLZMUOMIZEKD-INIZCTEOSA-N 0 3 318.258 4.795 10 0 DJAEHN CC(C)(C)c1ccc([C@@H](N)c2ccc(Br)cc2)cc1 ZINC000021033724 182262295 /nfs/dbraw/zinc/26/22/95/182262295.db2.gz WJZLZMUOMIZEKD-MRXNPFEDSA-N 0 3 318.258 4.795 10 0 DJAEHN Cc1cc(NCc2ccco2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570857 183103934 /nfs/dbraw/zinc/10/39/34/183103934.db2.gz AROXIPHFSRFPBH-UHFFFAOYSA-N 0 3 306.287 4.767 10 0 DJAEHN CCCNCc1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000041010074 183155897 /nfs/dbraw/zinc/15/58/97/183155897.db2.gz KJKCEBOCDDNNMX-UHFFFAOYSA-N 0 3 301.242 4.617 10 0 DJAEHN CC(C)NCc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000041010140 183155965 /nfs/dbraw/zinc/15/59/65/183155965.db2.gz AUUXQTGHGADAOU-UHFFFAOYSA-N 0 3 301.242 4.615 10 0 DJAEHN CCN[C@H](c1sccc1C)c1ccccc1Br ZINC000042729793 183302815 /nfs/dbraw/zinc/30/28/15/183302815.db2.gz IBZUXKWYXBSOJL-ZDUSSCGKSA-N 0 3 310.260 4.518 10 0 DJAEHN CC[C@H](NC[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816084 183311961 /nfs/dbraw/zinc/31/19/61/183311961.db2.gz NEGBEWJCNBQKPR-WFASDCNBSA-N 0 3 302.245 4.603 10 0 DJAEHN NCc1cc(F)c(Oc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000062720871 184250911 /nfs/dbraw/zinc/25/09/11/184250911.db2.gz GVLLVNHYRSFLRB-UHFFFAOYSA-N 0 3 304.123 4.523 10 0 DJAEHN N[C@@H](c1ccc(F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000062792164 184253261 /nfs/dbraw/zinc/25/32/61/184253261.db2.gz PISGOAWZVDTOHB-ZDUSSCGKSA-N 0 3 304.579 4.834 10 0 DJAEHN CCCn1ccc(CN[C@H](C)c2ccc(Br)cc2)c1 ZINC000091012886 332058684 /nfs/dbraw/zinc/05/86/84/332058684.db2.gz KTOPNEJGVGQFQG-CYBMUJFWSA-N 0 3 321.262 4.511 10 0 DJAEHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000151701998 332605066 /nfs/dbraw/zinc/60/50/66/332605066.db2.gz NNBGHABSMITEHW-IAGOWNOFSA-N 0 3 305.425 4.593 10 0 DJAEHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000092835477 332693657 /nfs/dbraw/zinc/69/36/57/332693657.db2.gz KCOUHACJNIAFNA-SGTLLEGYSA-N 0 3 301.817 4.687 10 0 DJAEHN C[C@H](COCc1ccccc1)N[C@@H](C)c1ccc(Cl)s1 ZINC000390544732 333296377 /nfs/dbraw/zinc/29/63/77/333296377.db2.gz TXSGNMRRFRQQGV-OLZOCXBDSA-N 0 3 309.862 4.657 10 0 DJAEHN C[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000020545181 333321763 /nfs/dbraw/zinc/32/17/63/333321763.db2.gz WPVAZQCFEADEKE-NSHDSACASA-N 0 3 311.759 4.792 10 0 DJAEHN Cc1ccc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)s1 ZINC000050225214 334376637 /nfs/dbraw/zinc/37/66/37/334376637.db2.gz OXHSAPHWGNKFIU-HNNXBMFYSA-N 0 3 303.471 4.942 10 0 DJAEHN Clc1ccc([C@H](N[C@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003040 336286836 /nfs/dbraw/zinc/28/68/36/336286836.db2.gz JROKMSPZJGPCII-PKOBYXMFSA-N 0 3 313.828 4.905 10 0 DJAEHN NCc1ccccc1Oc1cc(Cl)c(Cl)c(Cl)c1 ZINC000584595223 337374003 /nfs/dbraw/zinc/37/40/03/337374003.db2.gz RPMDUYUUSSEJNL-UHFFFAOYSA-N 0 3 302.588 4.898 10 0 DJAEHN CCc1ccc([C@H](C)N[C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191110709 340550162 /nfs/dbraw/zinc/55/01/62/340550162.db2.gz BUVWJTQYKJWYNF-LSDHHAIUSA-N 0 3 313.489 4.921 10 0 DJAEHN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccc(Cl)s1 ZINC000235207047 340657652 /nfs/dbraw/zinc/65/76/52/340657652.db2.gz PRKUHBPXAXVSBO-QMTHXVAHSA-N 0 3 307.846 4.835 10 0 DJAEHN Cc1nc(C)c(CN[C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000080692794 341274501 /nfs/dbraw/zinc/27/45/01/341274501.db2.gz QWDKVRRNRNPVGW-ZDUSSCGKSA-N 0 3 302.487 4.809 10 0 DJAEHN Cc1nc(C)c(CN[C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000080692797 341274568 /nfs/dbraw/zinc/27/45/68/341274568.db2.gz QWDKVRRNRNPVGW-CYBMUJFWSA-N 0 3 302.487 4.809 10 0 DJAEHN CCCNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000034815414 563246589 /nfs/dbraw/zinc/24/65/89/563246589.db2.gz SRCVYUCCPMCNNX-UHFFFAOYSA-N 0 3 303.833 4.727 10 0 DJAEHN CCOc1ccc(Cl)cc1CNCCc1ccc(Cl)cc1 ZINC000013721173 563387470 /nfs/dbraw/zinc/38/74/70/563387470.db2.gz IHVJVYTUZFRKLS-UHFFFAOYSA-N 0 3 324.251 4.724 10 0 DJAEHN Clc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1 ZINC000028428335 563751367 /nfs/dbraw/zinc/75/13/67/563751367.db2.gz VGYQVXPBTFDWQR-UHFFFAOYSA-N 0 3 322.235 4.824 10 0 DJAEHN CC(C)c1nc(-c2ccc(Cl)cc2)sc1CNC1CC1 ZINC000082429693 185181618 /nfs/dbraw/zinc/18/16/18/185181618.db2.gz DNYPZQRUOHEKBP-UHFFFAOYSA-N 0 3 306.862 4.839 10 0 DJAEHN CC(C)(C)C1CCC(NCc2nc3ccccc3s2)CC1 ZINC000020011000 182177645 /nfs/dbraw/zinc/17/76/45/182177645.db2.gz GXIQZMULKLNCJN-UHFFFAOYSA-N 0 3 302.487 4.991 10 0 DJAEHN CC[C@@H](N[C@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121403 182189530 /nfs/dbraw/zinc/18/95/30/182189530.db2.gz ABICGZUGDNRSFN-MLGOLLRUSA-N 0 3 319.246 4.646 10 0 DJAEHN Cc1cccc(CN[C@@H](C)c2cccc(Br)c2)c1 ZINC000020133978 182191065 /nfs/dbraw/zinc/19/10/65/182191065.db2.gz ZNZFLYCMRUENAV-ZDUSSCGKSA-N 0 3 304.231 4.608 10 0 DJAEHN CCCC[C@H](CC)[C@H](N)c1cc(Br)ccc1OC ZINC000020586536 182235985 /nfs/dbraw/zinc/23/59/85/182235985.db2.gz VZYBMPKPAWDIGO-NHYWBVRUSA-N 0 3 314.267 4.674 10 0 DJAEHN COc1c(Cl)cc(CNCc2ccc(C)cc2)cc1Cl ZINC000020928526 182254485 /nfs/dbraw/zinc/25/44/85/182254485.db2.gz DUOXLPRNIVZYGP-UHFFFAOYSA-N 0 3 310.224 4.600 10 0 DJAEHN COc1c(Cl)cc(CN[C@@H](C)c2ccccc2)cc1Cl ZINC000020928278 182254568 /nfs/dbraw/zinc/25/45/68/182254568.db2.gz NTWJJYFYMOWMPJ-NSHDSACASA-N 0 3 310.224 4.853 10 0 DJAEHN NC[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000043087960 183334934 /nfs/dbraw/zinc/33/49/34/183334934.db2.gz LWTWWWDXGKWNAN-ZDUSSCGKSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000043087173 183335268 /nfs/dbraw/zinc/33/52/68/183335268.db2.gz HWFIAWIYCCRGJP-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN Cc1cccc([C@@H](C)N[C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000151719234 332606666 /nfs/dbraw/zinc/60/66/66/332606666.db2.gz ZWYSDJBVCCUITD-IAGOWNOFSA-N 0 3 305.425 4.593 10 0 DJAEHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000092835475 332693663 /nfs/dbraw/zinc/69/36/63/332693663.db2.gz KCOUHACJNIAFNA-KPZWWZAWSA-N 0 3 301.817 4.687 10 0 DJAEHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(Cl)s1)CC2 ZINC000092835901 332694810 /nfs/dbraw/zinc/69/48/10/332694810.db2.gz CEQFJOIRXMKWSL-HZMBPMFUSA-N 0 3 307.846 4.748 10 0 DJAEHN Cc1cc(NC[C@H]2CCO[C@H]2c2ccccc2)c2ccccc2n1 ZINC000301426025 336305910 /nfs/dbraw/zinc/30/59/10/336305910.db2.gz PBCBMBMVNZQUPH-UTKZUKDTSA-N 0 3 318.420 4.733 10 0 DJAEHN Cc1cccc2c(N[C@@H]3CCO[C@@H](c4ccccc4)C3)ccnc12 ZINC000302165585 336351928 /nfs/dbraw/zinc/35/19/28/336351928.db2.gz JEEMVGHHJIPYFR-YLJYHZDGSA-N 0 3 318.420 4.875 10 0 DJAEHN Cc1csc([C@@H]2CCCN(Cc3ccc(C(F)F)cc3)C2)n1 ZINC000183932916 337195690 /nfs/dbraw/zinc/19/56/90/337195690.db2.gz CXIOVRXYKKLBCI-OAHLLOKOSA-N 0 3 322.424 4.769 10 0 DJAEHN Fc1ccc(CN2CC[C@]3(C2)CCC[C@@H](C(F)(F)F)C3)cc1 ZINC000584624949 337375375 /nfs/dbraw/zinc/37/53/75/337375375.db2.gz RPLIZPPYRXCFMZ-GDBMZVCRSA-N 0 3 315.354 4.770 10 0 DJAEHN C[C@H](NCC1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441994 339238963 /nfs/dbraw/zinc/23/89/63/339238963.db2.gz JTNOTFUBEBSSQB-UTUOFQBUSA-N 0 3 316.272 4.848 10 0 DJAEHN COCCCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000222980656 340542664 /nfs/dbraw/zinc/54/26/64/340542664.db2.gz CDWAJMDTCLHAQI-SNVBAGLBSA-N 0 3 308.224 4.600 10 0 DJAEHN CCc1ccc([C@@H](C)N[C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191110694 340550169 /nfs/dbraw/zinc/55/01/69/340550169.db2.gz BUVWJTQYKJWYNF-HUUCEWRRSA-N 0 3 313.489 4.921 10 0 DJAEHN C[C@H](N[C@H]1CCc2ccccc21)c1cc(Br)cs1 ZINC000226391779 340584457 /nfs/dbraw/zinc/58/44/57/340584457.db2.gz MJSKNZPMBVTYDR-HZMBPMFUSA-N 0 3 322.271 4.849 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000182165529 519733808 /nfs/dbraw/zinc/73/38/08/519733808.db2.gz NWGRTAQVHJAYLS-GXZWQRSESA-N 0 3 322.452 4.934 10 0 DJAEHN CC[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163793969 522710488 /nfs/dbraw/zinc/71/04/88/522710488.db2.gz HJKYEHWSIQDYSL-RBUKOAKNSA-N 0 3 322.452 4.959 10 0 DJAEHN CCOc1c(CNCCC2=CCCCC2)cc(Cl)cc1OC ZINC000013724004 563387263 /nfs/dbraw/zinc/38/72/63/563387263.db2.gz UNQXMYSPKDAYJR-UHFFFAOYSA-N 0 3 323.864 4.727 10 0 DJAEHN CC(C)c1nc(-c2ccc(Cl)c(Cl)c2)sc1CN ZINC000082431277 185181926 /nfs/dbraw/zinc/18/19/26/185181926.db2.gz JREZNFWAWFRWHZ-UHFFFAOYSA-N 0 3 301.242 4.699 10 0 DJAEHN Cc1ccc(-c2nc(C(C)(C)C)c(CNC3CC3)s2)cc1 ZINC000082439089 185182878 /nfs/dbraw/zinc/18/28/78/185182878.db2.gz HPOMNSUZHYZOJM-UHFFFAOYSA-N 0 3 300.471 4.668 10 0 DJAEHN CCCNCc1sc(CSC(C)C)nc1C(C)(C)C ZINC000082439727 185182969 /nfs/dbraw/zinc/18/29/69/185182969.db2.gz BEAPAVLIDPDFBL-UHFFFAOYSA-N 0 3 300.537 4.582 10 0 DJAEHN N[C@@H](c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000019470117 182124525 /nfs/dbraw/zinc/12/45/25/182124525.db2.gz UOZQBALSVDQAQU-KRWDZBQOSA-N 0 3 312.210 4.650 10 0 DJAEHN Cc1cc(O[C@H](CN)c2ccc(Cl)cc2)cc(C)c1Cl ZINC000019671168 182135221 /nfs/dbraw/zinc/13/52/21/182135221.db2.gz QIWMYBADZLLAGC-OAHLLOKOSA-N 0 3 310.224 4.689 10 0 DJAEHN Cc1cc(O[C@@H](CN)c2cccc(Cl)c2)cc(C)c1Cl ZINC000019671382 182134933 /nfs/dbraw/zinc/13/49/33/182134933.db2.gz WKZPDVFLQBFSGI-HNNXBMFYSA-N 0 3 310.224 4.689 10 0 DJAEHN C[C@H](N)c1c(F)cccc1Oc1cc(Cl)ccc1Cl ZINC000019995632 182175561 /nfs/dbraw/zinc/17/55/61/182175561.db2.gz MZZFOCVATNPPTE-QMMMGPOBSA-N 0 3 300.160 4.945 10 0 DJAEHN C[C@H](NCc1ccc(SC(F)(F)F)cc1)c1ccncc1 ZINC000020022854 182179903 /nfs/dbraw/zinc/17/99/03/182179903.db2.gz NSWUNBJRKGLANA-NSHDSACASA-N 0 3 312.360 4.544 10 0 DJAEHN Cc1ccc(Oc2ccc(F)cc2[C@H](C)N)c(Br)c1 ZINC000020077947 182185015 /nfs/dbraw/zinc/18/50/15/182185015.db2.gz MHWOCHRMUHJOMH-JTQLQIEISA-N 0 3 324.193 4.709 10 0 DJAEHN COc1ccc([C@H](N)c2cc(Cl)ccc2Cl)cc1Cl ZINC000020521969 182226331 /nfs/dbraw/zinc/22/63/31/182226331.db2.gz NKXZSHHPSAHUAT-AWEZNQCLSA-N 0 3 316.615 4.704 10 0 DJAEHN N[C@@H](c1csc2ccccc21)c1ccccc1Br ZINC000020596386 182236548 /nfs/dbraw/zinc/23/65/48/182236548.db2.gz IDVBMMJUZYZJOL-OAHLLOKOSA-N 0 3 318.239 4.712 10 0 DJAEHN CCCOc1ccc(Cl)cc1CNCCc1ccc(F)cc1 ZINC000020928890 182254589 /nfs/dbraw/zinc/25/45/89/182254589.db2.gz IXFUNRDWWVSWAC-UHFFFAOYSA-N 0 3 321.823 4.600 10 0 DJAEHN CCCc1ccc([C@H](N)c2cc(F)ccc2Br)cc1 ZINC000021028732 182262122 /nfs/dbraw/zinc/26/21/22/182262122.db2.gz UCDYQZKJHVQBJY-INIZCTEOSA-N 0 3 322.221 4.589 10 0 DJAEHN C[C@H](N)c1c(F)cccc1Oc1cccc(Cl)c1Cl ZINC000021799596 182290488 /nfs/dbraw/zinc/29/04/88/182290488.db2.gz TXTAERKEJQCNJX-QMMMGPOBSA-N 0 3 300.160 4.945 10 0 DJAEHN CC(C)Cc1ccc([C@H](N)c2ccc(Br)cc2)cc1 ZINC000021815082 182293137 /nfs/dbraw/zinc/29/31/37/182293137.db2.gz QBBYWCKLTKNBAE-KRWDZBQOSA-N 0 3 318.258 4.696 10 0 DJAEHN C[C@H](NCCc1ccco1)c1cc(F)c(Cl)cc1Cl ZINC000037259063 182876280 /nfs/dbraw/zinc/87/62/80/182876280.db2.gz DDQLOVLXDMJJSJ-VIFPVBQESA-N 0 3 302.176 4.619 10 0 DJAEHN Clc1ccc(COc2cccc(CNC3CC3)c2)cc1Cl ZINC000040738867 183127090 /nfs/dbraw/zinc/12/70/90/183127090.db2.gz FYEGWIYFWBVVDA-UHFFFAOYSA-N 0 3 322.235 4.824 10 0 DJAEHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(Cl)cc1)CC2 ZINC000092835478 332693488 /nfs/dbraw/zinc/69/34/88/332693488.db2.gz KCOUHACJNIAFNA-XIKOKIGWSA-N 0 3 301.817 4.687 10 0 DJAEHN C[C@H](N[C@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226627 333341646 /nfs/dbraw/zinc/34/16/46/333341646.db2.gz BEJGSIHNPIZXDV-HZMBPMFUSA-N 0 3 322.271 4.849 10 0 DJAEHN CC(C)Oc1cccc(CN[C@@H](C)c2cccc(Cl)c2)c1 ZINC000040640067 333532998 /nfs/dbraw/zinc/53/29/98/333532998.db2.gz JCXULQXXZBBZEG-AWEZNQCLSA-N 0 3 303.833 4.978 10 0 DJAEHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2)cc1OC ZINC000194349214 338515805 /nfs/dbraw/zinc/51/58/05/338515805.db2.gz OSDRJWLBSGKQAJ-HZPDHXFCSA-N 0 3 313.441 4.732 10 0 DJAEHN CCC[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272112 337161837 /nfs/dbraw/zinc/16/18/37/337161837.db2.gz VHVAAJLNTOQOKI-RTBURBONSA-N 0 3 311.425 4.650 10 0 DJAEHN Cc1ccc([C@@H](C)NCc2cnc(C(C)(C)C)s2)c(C)c1 ZINC000059181039 337888852 /nfs/dbraw/zinc/88/88/52/337888852.db2.gz DWAJBRYZRXSXSC-CQSZACIVSA-N 0 3 302.487 4.908 10 0 DJAEHN Cc1cncc([C@H](C)N[C@H](C)c2cccc(Br)c2)c1 ZINC000184266347 340491709 /nfs/dbraw/zinc/49/17/09/340491709.db2.gz FBZGXHCAYHNLQE-OLZOCXBDSA-N 0 3 319.246 4.564 10 0 DJAEHN COc1cccc([C@@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000128961943 340932011 /nfs/dbraw/zinc/93/20/11/340932011.db2.gz LQXUHTANSYZUKA-KDOFPFPSSA-N 0 3 311.425 4.648 10 0 DJAEHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)cc1F ZINC000071810662 341048692 /nfs/dbraw/zinc/04/86/92/341048692.db2.gz QEJFTXAFVIQRST-CQSZACIVSA-N 0 3 313.416 4.564 10 0 DJAEHN Cc1nc(C)c([C@@H](C)N[C@H]2c3cc(C)ccc3C[C@H]2C)s1 ZINC000248408427 341376968 /nfs/dbraw/zinc/37/69/68/341376968.db2.gz FBVVALISWJFJPH-CJBNDPTMSA-N 0 3 300.471 4.652 10 0 DJAEHN CC1(C)C[C@@H](N[C@H]2CCCNc3ccccc32)c2ccccc2O1 ZINC000192960447 341900054 /nfs/dbraw/zinc/90/00/54/341900054.db2.gz ZPQRLLJGMRFCMI-RBUKOAKNSA-N 0 3 322.452 4.825 10 0 DJAEHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000182165565 519733977 /nfs/dbraw/zinc/73/39/77/519733977.db2.gz NWGRTAQVHJAYLS-VFCRVFHLSA-N 0 3 322.452 4.934 10 0 DJAEHN Clc1ccc(CCNCc2ccc(Cl)cc2Cl)cc1 ZINC000013720964 563662510 /nfs/dbraw/zinc/66/25/10/563662510.db2.gz NEFWBCMCGLLZCB-UHFFFAOYSA-N 0 3 314.643 4.979 10 0 DJAEHN CCCN(CCC)Cc1cccc(Cl)c1Br ZINC000669378422 563869458 /nfs/dbraw/zinc/86/94/58/563869458.db2.gz DWNGJEQVVWXTDB-UHFFFAOYSA-N 0 3 304.659 4.725 10 0 DJAEHN Cc1cccc(-c2nc(C(C)(C)C)c(CNC3CC3)s2)c1 ZINC000082439127 185182834 /nfs/dbraw/zinc/18/28/34/185182834.db2.gz KZLNSNVVUCLJDT-UHFFFAOYSA-N 0 3 300.471 4.668 10 0 DJAEHN c1ccc(C2=NCCN2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000103198320 185437992 /nfs/dbraw/zinc/43/79/92/185437992.db2.gz CXYLQOGESGVEFI-UHFFFAOYSA-N 0 3 312.416 4.616 10 0 DJAEHN O=C(c1ccccc1)[C@@H](CCCN1CCCCC1)c1ccccc1 ZINC000003602169 181039092 /nfs/dbraw/zinc/03/90/92/181039092.db2.gz RNIBVRFWGZKRNH-NRFANRHFSA-N 0 3 321.464 4.919 10 0 DJAEHN Nc1cccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c1 ZINC000005331931 181230343 /nfs/dbraw/zinc/23/03/43/181230343.db2.gz DFVZMWMOHWPXCT-NRFANRHFSA-N 0 3 313.404 4.625 10 0 DJAEHN COc1c(Br)cc(Cl)cc1[C@H](N)CC(C)(C)C ZINC000019967887 182171362 /nfs/dbraw/zinc/17/13/62/182171362.db2.gz SRPFTKHKKAPUJH-LLVKDONJSA-N 0 3 320.658 4.547 10 0 DJAEHN CC(C)Cc1ccc([C@H](N)c2ccccc2Br)cc1 ZINC000019988540 182174730 /nfs/dbraw/zinc/17/47/30/182174730.db2.gz PBDXQSACTCZTAY-KRWDZBQOSA-N 0 3 318.258 4.696 10 0 DJAEHN C[C@@H](NCc1ccc(Br)s1)c1ccc(F)cc1 ZINC000020095826 182186355 /nfs/dbraw/zinc/18/63/55/182186355.db2.gz SYVBVGHVPQFITA-SECBINFHSA-N 0 3 314.223 4.501 10 0 DJAEHN C[C@H](NCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020124151 182190217 /nfs/dbraw/zinc/19/02/17/182190217.db2.gz JXWZCALFIYFRDL-NSHDSACASA-N 0 3 324.649 4.953 10 0 DJAEHN CCCOc1ccc(CNCc2ccc(F)cc2)cc1Cl ZINC000020925586 182254541 /nfs/dbraw/zinc/25/45/41/182254541.db2.gz HWERKGPWUHKXFU-UHFFFAOYSA-N 0 3 307.796 4.558 10 0 DJAEHN CCCOc1ccc2ccccc2c1CNCc1ccccc1 ZINC000020930447 182255238 /nfs/dbraw/zinc/25/52/38/182255238.db2.gz KVRPFMHRJOVCCH-UHFFFAOYSA-N 0 3 305.421 4.918 10 0 DJAEHN CC(C)Cc1ccc([C@@H](N)c2cccc(Br)c2)cc1 ZINC000021810606 182292146 /nfs/dbraw/zinc/29/21/46/182292146.db2.gz BFOPUBDJNZOPNG-QGZVFWFLSA-N 0 3 318.258 4.696 10 0 DJAEHN Cc1cc(N2CCCCCC2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570887 183103870 /nfs/dbraw/zinc/10/38/70/183103870.db2.gz GMVHBQSMPXUYPD-UHFFFAOYSA-N 0 3 308.347 4.942 10 0 DJAEHN Clc1cccc(Cl)c1COc1ccccc1CNC1CC1 ZINC000040731837 183126518 /nfs/dbraw/zinc/12/65/18/183126518.db2.gz DSPFSJIKXGNGHJ-UHFFFAOYSA-N 0 3 322.235 4.824 10 0 DJAEHN CCCNCc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000041010091 183155840 /nfs/dbraw/zinc/15/58/40/183155840.db2.gz ZIHCQKAAIBTQHC-UHFFFAOYSA-N 0 3 301.242 4.617 10 0 DJAEHN CCN[C@@H](c1sccc1C)c1cccc(Br)c1 ZINC000042729814 183302912 /nfs/dbraw/zinc/30/29/12/183302912.db2.gz SNGAYJWKBDFZAK-CYBMUJFWSA-N 0 3 310.260 4.518 10 0 DJAEHN NC[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000042949737 183320717 /nfs/dbraw/zinc/32/07/17/183320717.db2.gz AHVXFGKPOXBZBF-CQSZACIVSA-N 0 3 316.615 4.726 10 0 DJAEHN NC[C@H](Oc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000042949068 183321079 /nfs/dbraw/zinc/32/10/79/183321079.db2.gz RRXLZZDTJQTDDD-ZDUSSCGKSA-N 0 3 316.615 4.726 10 0 DJAEHN C[C@@H](NC[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000042816494 183311870 /nfs/dbraw/zinc/31/18/70/183311870.db2.gz XBNYPKFFPHPLIJ-ZJUUUORDSA-N 0 3 322.663 4.867 10 0 DJAEHN CC[C@H](NC[C@@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815117 183311890 /nfs/dbraw/zinc/31/18/90/183311890.db2.gz MHYHOPMDXCXDFL-WFASDCNBSA-N 0 3 302.245 4.603 10 0 DJAEHN N[C@@H](Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1F ZINC000062786019 184252960 /nfs/dbraw/zinc/25/29/60/184252960.db2.gz VRDNWEREMVIICP-AWEZNQCLSA-N 0 3 302.151 4.514 10 0 DJAEHN CC[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151684004 332602657 /nfs/dbraw/zinc/60/26/57/332602657.db2.gz CWQAXEAXTICOJR-WMLDXEAASA-N 0 3 311.454 4.736 10 0 DJAEHN C[C@@H](COCc1ccccc1)NCc1ccc2ccccc2c1 ZINC000390519165 333289313 /nfs/dbraw/zinc/28/93/13/333289313.db2.gz FHZGSKWQCRNQSK-KRWDZBQOSA-N 0 3 305.421 4.535 10 0 DJAEHN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000019992883 333294917 /nfs/dbraw/zinc/29/49/17/333294917.db2.gz LFFTYRYEHZAXQZ-LLVKDONJSA-N 0 3 311.759 4.792 10 0 DJAEHN CC[C@@H](N[C@@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529134 334345258 /nfs/dbraw/zinc/34/52/58/334345258.db2.gz ULXARDMMIACQRO-IAGOWNOFSA-N 0 3 301.455 4.875 10 0 DJAEHN CCC(CC)CN(CC)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726488 334350990 /nfs/dbraw/zinc/35/09/90/334350990.db2.gz YKUYXIFADHTHHT-AWEZNQCLSA-N 0 3 301.434 4.556 10 0 DJAEHN Cc1ccc([C@@H](C)NCc2ccc(Br)cc2)cc1C ZINC000042352382 336239681 /nfs/dbraw/zinc/23/96/81/336239681.db2.gz QZPLRRLYSIGKHH-CQSZACIVSA-N 0 3 318.258 4.917 10 0 DJAEHN CCC[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272101 337161815 /nfs/dbraw/zinc/16/18/15/337161815.db2.gz VHVAAJLNTOQOKI-RBUKOAKNSA-N 0 3 311.425 4.650 10 0 DJAEHN CCc1ccc([C@H](C)N[C@@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191110681 340550127 /nfs/dbraw/zinc/55/01/27/340550127.db2.gz BUVWJTQYKJWYNF-GJZGRUSLSA-N 0 3 313.489 4.921 10 0 DJAEHN C[C@@H](N[C@H](C)C1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000125899644 340814526 /nfs/dbraw/zinc/81/45/26/340814526.db2.gz RKTXNWHXIPYVPI-NXEZZACHSA-N 0 3 320.235 4.598 10 0 DJAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)c1cccc(Cl)c1 ZINC000247604977 341367982 /nfs/dbraw/zinc/36/79/82/341367982.db2.gz LNMAVHAQIKILGB-CXAGYDPISA-N 0 3 317.864 4.588 10 0 DJAEHN C[C@H](N[C@@H](C)[C@H](C)c1nc2ccccc2s1)c1ccccn1 ZINC000248030319 341372418 /nfs/dbraw/zinc/37/24/18/341372418.db2.gz QGHIEWITZPFWQY-IHRRRGAJSA-N 0 3 311.454 4.534 10 0 DJAEHN CC1(C)C[C@H](N[C@@H]2CCCNc3ccccc32)c2ccccc2O1 ZINC000192960406 341900045 /nfs/dbraw/zinc/90/00/45/341900045.db2.gz ZPQRLLJGMRFCMI-MOPGFXCFSA-N 0 3 322.452 4.825 10 0 DJAEHN CCNCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000033454434 563770200 /nfs/dbraw/zinc/77/02/00/563770200.db2.gz RUYIWNMZDYYPNJ-UHFFFAOYSA-N 0 3 310.224 4.682 10 0 DJAEHN Cc1ccccc1-c1nc(C(C)(C)C)c(CNC2CC2)s1 ZINC000082438662 185182632 /nfs/dbraw/zinc/18/26/32/185182632.db2.gz IBTWAMRUSYJLTL-UHFFFAOYSA-N 0 3 300.471 4.668 10 0 DJAEHN CN(C)C[C@@H]1CSC(C2CCCCC2)(C2CCCCC2)O1 ZINC000005958026 181300630 /nfs/dbraw/zinc/30/06/30/181300630.db2.gz FUWAPHITKKFUGP-QGZVFWFLSA-N 0 3 311.535 4.537 10 0 DJAEHN Cc1cc(C)c(C)c([C@H](N)c2ccc(Br)cc2)c1C ZINC000019232261 182110192 /nfs/dbraw/zinc/11/01/92/182110192.db2.gz QIPMLALLLYSKPF-QGZVFWFLSA-N 0 3 318.258 4.731 10 0 DJAEHN CC(C)Cc1ccc([C@@H](N)c2ccccc2Br)cc1 ZINC000019988536 182174479 /nfs/dbraw/zinc/17/44/79/182174479.db2.gz PBDXQSACTCZTAY-QGZVFWFLSA-N 0 3 318.258 4.696 10 0 DJAEHN CC[C@H](N[C@@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121402 182189071 /nfs/dbraw/zinc/18/90/71/182189071.db2.gz ABICGZUGDNRSFN-LRDDRELGSA-N 0 3 319.246 4.646 10 0 DJAEHN C[C@H](N[C@@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129717 182190231 /nfs/dbraw/zinc/19/02/31/182190231.db2.gz GYVLTUFUBDWOIL-YVEFUNNKSA-N 0 3 316.242 4.787 10 0 DJAEHN Brc1ccc(CN[C@H]2CCCc3ccccc32)s1 ZINC000020133756 182190901 /nfs/dbraw/zinc/19/09/01/182190901.db2.gz SRAHPMXLNYRDTD-AWEZNQCLSA-N 0 3 322.271 4.678 10 0 DJAEHN C[C@@H](N[C@@H](C)CCc1ccco1)c1ccccc1Br ZINC000020144795 182191649 /nfs/dbraw/zinc/19/16/49/182191649.db2.gz NJKFDSPEEBQBDF-QWHCGFSZSA-N 0 3 322.246 4.714 10 0 DJAEHN CCC[C@@H](C)[C@H](N)c1cc(Cl)cc(Br)c1OC ZINC000020252196 182200215 /nfs/dbraw/zinc/20/02/15/182200215.db2.gz IBWUEEPOVJDNAN-PELKAZGASA-N 0 3 320.658 4.547 10 0 DJAEHN CCCc1ccc([C@H](N)c2ccc(Br)cc2F)cc1 ZINC000021501177 182275231 /nfs/dbraw/zinc/27/52/31/182275231.db2.gz LIEUSMLCKLHTSQ-INIZCTEOSA-N 0 3 322.221 4.589 10 0 DJAEHN C[C@@H](N)c1c(F)cccc1Oc1cccc(Cl)c1Cl ZINC000021799592 182290610 /nfs/dbraw/zinc/29/06/10/182290610.db2.gz TXTAERKEJQCNJX-MRVPVSSYSA-N 0 3 300.160 4.945 10 0 DJAEHN CCN[C@H](c1sccc1C)c1cccc(Br)c1 ZINC000042729811 183302690 /nfs/dbraw/zinc/30/26/90/183302690.db2.gz SNGAYJWKBDFZAK-ZDUSSCGKSA-N 0 3 310.260 4.518 10 0 DJAEHN CCN[C@@H](c1sccc1C)c1ccccc1Br ZINC000042729796 183302812 /nfs/dbraw/zinc/30/28/12/183302812.db2.gz IBZUXKWYXBSOJL-CYBMUJFWSA-N 0 3 310.260 4.518 10 0 DJAEHN NC[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000043053604 183332567 /nfs/dbraw/zinc/33/25/67/183332567.db2.gz CWJCYKVRXSKXRK-AWEZNQCLSA-N 0 3 316.615 4.726 10 0 DJAEHN C[C@@H](NC[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000042816504 183312177 /nfs/dbraw/zinc/31/21/77/183312177.db2.gz XBNYPKFFPHPLIJ-NXEZZACHSA-N 0 3 322.663 4.867 10 0 DJAEHN NC[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000043087957 183334887 /nfs/dbraw/zinc/33/48/87/183334887.db2.gz LWTWWWDXGKWNAN-CYBMUJFWSA-N 0 3 316.615 4.726 10 0 DJAEHN CCN[C@@H](c1ccc(OC)c(Br)c1)C1=CCCCC1 ZINC000050326458 183782345 /nfs/dbraw/zinc/78/23/45/183782345.db2.gz MQEFTUVHZWNMIZ-MRXNPFEDSA-N 0 3 324.262 4.609 10 0 DJAEHN C[C@](N)(c1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000055195771 183970570 /nfs/dbraw/zinc/97/05/70/183970570.db2.gz JFJVGIWAEMIVAI-AWEZNQCLSA-N 0 3 300.616 4.869 10 0 DJAEHN N[C@H](Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1F ZINC000062786020 184253234 /nfs/dbraw/zinc/25/32/34/184253234.db2.gz VRDNWEREMVIICP-CQSZACIVSA-N 0 3 302.151 4.514 10 0 DJAEHN CCCn1ccc(CN[C@@H](C)c2cccc(Br)c2)c1 ZINC000091010258 332058851 /nfs/dbraw/zinc/05/88/51/332058851.db2.gz XKUDZOXGASQHPF-ZDUSSCGKSA-N 0 3 321.262 4.511 10 0 DJAEHN CC[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151684119 332602693 /nfs/dbraw/zinc/60/26/93/332602693.db2.gz CWQAXEAXTICOJR-RHSMWYFYSA-N 0 3 311.454 4.736 10 0 DJAEHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000151701858 332604879 /nfs/dbraw/zinc/60/48/79/332604879.db2.gz NNBGHABSMITEHW-DLBZAZTESA-N 0 3 305.425 4.593 10 0 DJAEHN C[C@H](COCc1ccccc1)N[C@H](C)c1ccc(Cl)s1 ZINC000390544731 333296369 /nfs/dbraw/zinc/29/63/69/333296369.db2.gz TXSGNMRRFRQQGV-CHWSQXEVSA-N 0 3 309.862 4.657 10 0 DJAEHN C[C@@H](COCc1ccccc1)N[C@@H](C)c1csc(Cl)c1 ZINC000390560377 333300860 /nfs/dbraw/zinc/30/08/60/333300860.db2.gz LJORNTWMNYFEET-STQMWFEESA-N 0 3 309.862 4.657 10 0 DJAEHN COc1cccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000021029324 333413107 /nfs/dbraw/zinc/41/31/07/333413107.db2.gz UWVMPXWGCGNUQL-LLVKDONJSA-N 0 3 310.224 4.853 10 0 DJAEHN CCc1ccc([C@H](C)NCc2cccc(Br)c2)cc1 ZINC000034992674 336385086 /nfs/dbraw/zinc/38/50/86/336385086.db2.gz CFFBTNUBGPDDID-ZDUSSCGKSA-N 0 3 318.258 4.862 10 0 DJAEHN C[C@@H](NCc1cc(F)cc2cccnc21)c1ccc(Cl)s1 ZINC000193111037 337308307 /nfs/dbraw/zinc/30/83/07/337308307.db2.gz IFDSHIWMLCJPOH-SNVBAGLBSA-N 0 3 320.820 4.940 10 0 DJAEHN CN(C)CCN1c2ccccc2CSc2ccc(Cl)cc21 ZINC000584602612 337371102 /nfs/dbraw/zinc/37/11/02/337371102.db2.gz PONJWCSFOKEULK-UHFFFAOYSA-N 0 3 318.873 4.645 10 0 DJAEHN Cc1ccccc1[C@@H](C)NCc1csc(Br)c1 ZINC000035251250 337741829 /nfs/dbraw/zinc/74/18/29/337741829.db2.gz OZLGQANQZUGTFT-LLVKDONJSA-N 0 3 310.260 4.670 10 0 DJAEHN C[C@@H](NCC1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454210 339239598 /nfs/dbraw/zinc/23/95/98/339239598.db2.gz IDMJWVAODWSRDZ-OPRDCNLKSA-N 0 3 322.301 4.909 10 0 DJAEHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccccc1C)CCS2 ZINC000191486365 340554744 /nfs/dbraw/zinc/55/47/44/340554744.db2.gz IHYDYTGCSIBESO-KSSFIOAISA-N 0 3 313.466 4.891 10 0 DJAEHN CCc1ncc(CN[C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000037924160 340788421 /nfs/dbraw/zinc/78/84/21/340788421.db2.gz HSNUUQGVFVAMFO-CQSZACIVSA-N 0 3 302.487 4.755 10 0 DJAEHN CCCOc1cccc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000037996737 340788911 /nfs/dbraw/zinc/78/89/11/340788911.db2.gz WSIHNKQMAFPUAY-CQSZACIVSA-N 0 3 303.833 4.980 10 0 DJAEHN C[C@H](NCc1csc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000070306167 340993262 /nfs/dbraw/zinc/99/32/62/340993262.db2.gz RMHOUTJQJGWKIT-LBPRGKRZSA-N 0 3 304.434 4.618 10 0 DJAEHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000180230659 519749080 /nfs/dbraw/zinc/74/90/80/519749080.db2.gz KKHVRWOFXAOBNB-WIEQDCTASA-N 0 3 322.452 4.538 10 0 DJAEHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccs1)CCS2 ZINC000191486818 525579725 /nfs/dbraw/zinc/57/97/25/525579725.db2.gz VBANGDRARJOLIP-FZMZJTMJSA-N 0 3 305.468 4.644 10 0 DJAEHN CCCCOCCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000013720105 563387438 /nfs/dbraw/zinc/38/74/38/563387438.db2.gz NRVLUSAKBRCLSZ-UHFFFAOYSA-N 0 3 321.848 4.896 10 0 DJAEHN CS[C@@H](C)CCN(Cc1sccc1C)Cc1ccccn1 ZINC000055109316 563471923 /nfs/dbraw/zinc/47/19/23/563471923.db2.gz FCFZAVOXXWLUNX-HNNXBMFYSA-N 0 3 320.527 4.595 10 0 DJAEHN Clc1ccc(CCNCc2ccccc2Cl)c(Cl)c1 ZINC000020006418 563678591 /nfs/dbraw/zinc/67/85/91/563678591.db2.gz OMTQRFRTDNZZEV-UHFFFAOYSA-N 0 3 314.643 4.979 10 0 DJAEHN CCN(Cc1cccc(Cl)c1Br)CC(C)C ZINC000669378379 563869651 /nfs/dbraw/zinc/86/96/51/563869651.db2.gz CAIIYXKWQHYTET-UHFFFAOYSA-N 0 3 304.659 4.580 10 0 DJAEHN